Index

A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Z

A

abstract_formula() (in module httk.atomistic.structureutils)
abstract_symbol() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
add() (httk.db.filteredcollection.FCMultiDict method)
(httk.db.filteredcollection.FilteredCollection method)
add_all() (httk.db.filteredcollection.FilteredCollection method)
add_ext_citation() (in module httk.core.citation)
add_name() (httk.atomistic.Compound method)
(httk.atomistic.compound.Compound method)
add_names() (httk.atomistic.Compound method)
(httk.atomistic.compound.Compound method)
add_phase() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
add_project() (httk.Computation method)
(httk.core.computation.Computation method)
add_projects() (httk.Computation method)
(httk.core.computation.Computation method)
add_rc_cell() (httk.atomistic.ScalelessStructure method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
add_rc_cells() (httk.atomistic.ScalelessStructure method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
add_ref() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
(httk.atomistic.structure.Structure method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
add_refs() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
(httk.atomistic.structure.Structure method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
add_sort() (httk.db.filteredcollection.FilteredCollection method)
add_src_citation() (in module httk.core.citation)
add_tag() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
(httk.atomistic.structure.Structure method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
add_tags() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
(httk.atomistic.structure.Structure method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
added_date (httk.Computation attribute)
(httk.core.computation.Computation attribute)
addsym() (in module httk.external.platon_ext)
addsym_spacegroup() (in module httk.external.platon_ext)
aflow() (in module httk.external.aflow_ext)
alter() (httk.db.backend.sqlite.Sqlite method)
analysis() (in module httk.external.pyspglib_ext)
anonymous_formula (httk.atomistic.Compound attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.sites.Sites attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
anonymous_formula() (in module httk.atomistic.sitesutils)
anonymous_symbol_to_int() (in module httk.core.basic)
anonymous_wyckoff_sequence (httk.atomistic.Compound attribute)
(httk.atomistic.RepresentativeSites attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.representativesites.RepresentativeSites attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
any_to_hall_symbol() (in module httk.atomistic.spacegrouputils)
apply_template() (in module httk.core.template)
apply_templates() (in module httk.core.template)
argmax() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
argmin() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
arrowplot() (in module httk.graphics.matplotlib.arrowplot)
ase_atoms_to_structure() (in module httk.external.ase_glue)
ase_read_structure() (in module httk.external.ase_glue)
ase_write_struct() (in module httk.external.ase_glue)
AseStructureVisualizer (class in httk.atomistic.vis.asestructurevisualizer)
Assignment (class in httk.atomistic.assignment)
Assignments (class in httk.atomistic)
(class in httk.atomistic.assignments)
atomic_number (httk.atomistic.siteassignment.SiteAssignment attribute)
atomic_number() (in module httk.atomistic.data.periodictable)
atomic_number_isotope() (in module httk.atomistic.data.periodictable)
atomic_numbers (httk.atomistic.Assignments attribute)
(httk.atomistic.assignments.Assignments attribute)
(httk.atomistic.siteassignment.SiteAssignment attribute)
atomic_symbol() (in module httk.atomistic.data.periodictable)
Author (class in httk)
(class in httk.core.reference)

B

basics (httk.db.store.dictstore.DictStore attribute)
(httk.db.store.sqlstore.SqlStore attribute)
basis (httk.atomistic.Cell attribute)
(httk.atomistic.cell.Cell attribute)
(httk.atomistic.cellshape.CellShape attribute)
basis_determinant() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
basis_scale_to_vol() (in module httk.atomistic.structureutils)
basis_to_niggli() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
basis_vol_to_scale() (in module httk.atomistic.structureutils)
BinaryBooleanOp (class in httk.db.filteredcollection)
BinaryComparison (class in httk.db.filteredcollection)
BinaryOp (class in httk.db.filteredcollection)
bit() (in module httk.core.ed25519)
bonds() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
breath_first_idxs() (in module httk.core.basic)
build_cubic_supercell() (httk.atomistic.Structure method)
(httk.atomistic.structure.Structure method)
build_orthogonal_supercell() (httk.atomistic.Structure method)
(httk.atomistic.structure.Structure method)
build_supercell() (httk.atomistic.Structure method)
(httk.atomistic.structure.Structure method)
build_supercell_old() (httk.atomistic.Structure method)
(httk.atomistic.structure.Structure method)

C

calculate_kpoints() (in module httk.iface.vasp_if)
cartesian_to_reduced() (in module httk.atomistic.structureutils)
ceil() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
Cell (class in httk.atomistic)
(class in httk.atomistic.cell)
cell_to_basis() (in module httk.atomistic.cellutils)
CellShape (class in httk.atomistic.cellshape)
chain_vecs() (httk.core.fracvector.FracVector class method)
(httk.FracVector class method)
check_works() (in module httk.external.jmol)
checkvalid() (in module httk.core.ed25519)
cif2cell() (in module httk.external.cif2cell_ext)
cif_reader_httk_preprocessed() (in module httk.atomistic.io.structure_cif_io)
cif_reader_that_can_only_read_isotropy_cif() (in module httk.atomistic.io.structure_cif_io)
cif_to_sgstructure() (in module httk.external.platon_ext)
cif_to_struct() (in module httk.atomistic.io.structure_cif_io)
cif_to_structure_noreduce() (in module httk.external.cif2cell_ext)
cif_to_structure_reduce() (in module httk.external.cif2cell_ext)
clean() (httk.atomistic.Cell method)
(httk.atomistic.RepresentativeSites method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
(httk.atomistic.representativesites.RepresentativeSites method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
(httk.atomistic.sites.Sites method)
(httk.atomistic.structure.Structure method)
clean_coordgroups_and_assignments() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
cleveropen() (in module httk.core.ioadapters)
close() (httk.core.ioadapters.IoAdapterFileAppender method)
(httk.IoAdapterFileAppender method)
(httk.IoAdapterFileReader method)
(httk.IoAdapterFileWriter method)
(httk.IoAdapterString method)
(httk.core.ioadapters.IoAdapterFileReader method)
(httk.core.ioadapters.IoAdapterFileWriter method)
(httk.core.ioadapters.IoAdapterFilename method)
(httk.core.ioadapters.IoAdapterString method)
(httk.db.backend.sqlite.Sqlite method)
(httk.db.backend.sqlite.Sqlite.SqliteCursor method)
Code (class in httk)
(class in httk.core.code)
CodeRef (class in httk.core.code)
CodeTag (class in httk.core.code)
Command (class in httk.external.command)
commit() (httk.db.backend.sqlite.Sqlite method)
(httk.db.store.sqlstore.SqlStore method)
competing_indices (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
Compound (class in httk.atomistic)
(class in httk.atomistic.compound)
CompoundName (class in httk.atomistic.compound)
CompoundRef (class in httk.atomistic)
(class in httk.atomistic.compound)
CompoundStructure (class in httk.atomistic)
(class in httk.atomistic.compound)
CompoundTag (class in httk.atomistic)
(class in httk.atomistic.compound)
Computation (class in httk)
(class in httk.core.computation)
ComputationProject (class in httk)
(class in httk.core.computation)
ComputationRef (class in httk.core.computation)
ComputationRelated (class in httk)
(class in httk.core.computation)
ComputationRelatedCompound (class in httk.atomistic.compound)
ComputationTag (class in httk.core.computation)
connections() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
construct_klists() (in module httk.iface.vasp_if)
coord_system (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
coordgroups_and_assignments_to_coords_and_occupancies() (in module httk.atomistic.structureutils)
coordgroups_and_assignments_to_symbols() (in module httk.atomistic.structureutils)
coordgroups_cartesian_to_reduced() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
(in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coordgroups_reduced_rc_to_unitcellsites() (in module httk.atomistic.structureutils)
(in module httk.external.ase_glue)
(in module httk.external.cif2cell_ext)
coordgroups_reduced_to_cartesian() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
(in module httk.atomistic.sitesutils)
coordgroups_reduced_uc_to_representative() (in module httk.atomistic.structureutils)
coordgroups_to_coords() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
coords_and_counts_to_coordgroups() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coords_and_occupancies_to_coordgroups_and_assignments() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coords_cartesian_to_reduced() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
coords_groupnumber (httk.atomistic.sites.Sites attribute)
coords_reduced_to_cartesian() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
(in module httk.atomistic.sitesutils)
coords_to_coordgroups() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coordswap() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
copy() (httk.db.filteredcollection.FCDict method)
(httk.db.filteredcollection.FCMultiDict method)
copy_template() (in module httk.iface.vasp_if)
counts (httk.atomistic.sites.Sites attribute)
create() (httk.analysis.matsci.phasediagram.PhaseDiagram class method)
(httk.Author class method)
(httk.Code class method)
(httk.Computation class method)
(httk.ComputationProject class method)
(httk.ComputationRelated class method)
(httk.FracScalar class method)
(httk.FracVector class method)
(httk.Project class method)
(httk.Reference class method)
(httk.Result class method)
(httk.Signature class method)
(httk.SignatureKey class method)
(httk.atomistic.Assignments class method)
(httk.atomistic.Cell class method)
(httk.atomistic.Compound class method)
(httk.atomistic.CompoundStructure class method)
(httk.atomistic.RepresentativeSites class method)
(httk.atomistic.ScalelessStructure class method)
(httk.atomistic.Structure class method)
(httk.atomistic.StructurePhaseDiagram class method)
(httk.atomistic.UnitcellStructure class method)
(httk.atomistic.assignment.Assignment class method)
(httk.atomistic.assignments.Assignments class method)
(httk.atomistic.cell.Cell class method)
(httk.atomistic.cellshape.CellShape class method)
(httk.atomistic.compound.Compound class method)
(httk.atomistic.compound.CompoundStructure class method)
(httk.atomistic.compound.ComputationRelatedCompound class method)
(httk.atomistic.representativesites.RepresentativeSites class method)
(httk.atomistic.scalelessstructure.ScalelessStructure class method)
(httk.atomistic.scalelessstructure.SlStructureCell class method)
(httk.atomistic.siteassignment.SiteAssignment class method)
(httk.atomistic.sites.Sites class method)
(httk.atomistic.spacegroup.Spacegroup class method)
(httk.atomistic.structure.Structure class method)
(httk.atomistic.structurephasediagram.StructurePhaseDiagram class method)
(httk.atomistic.structurephasediagram.StructurePhaseDiagramCompetingIndicies class method)
(httk.atomistic.unitcellstructure.UnitcellStructure class method)
(httk.core.code.Code class method)
(httk.core.computation.Computation class method)
(httk.core.computation.ComputationProject class method)
(httk.core.computation.ComputationRelated class method)
(httk.core.computation.Result class method)
(httk.core.fracvector.FracScalar class method)
(httk.core.fracvector.FracVector class method)
(httk.core.project.Project class method)
(httk.core.project.ProjectOwner class method)
(httk.core.reference.Author class method)
(httk.core.reference.Reference class method)
(httk.core.signature.Signature class method)
(httk.core.signature.SignatureKey class method)
create_batch_task() (in module httk.task.taskmgr)
create_table() (httk.db.backend.sqlite.Sqlite method)
(httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
create_tmpdir() (in module httk.core.basic)
cross() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
cursor() (httk.db.backend.sqlite.Sqlite method)

D

data() (httk.db.filteredcollection.FCDict method)
(httk.db.filteredcollection.FCMultiDict method)
db_close() (in module httk.db.backend.sqlite)
db_open() (in module httk.db.backend.sqlite)
db_sqlite_close_all() (in module httk.db.backend.sqlite)
DeclaredFunction (class in httk.db.filteredcollection)
decodeint() (in module httk.core.ed25519)
decodepoint() (in module httk.core.ed25519)
defaults_publish() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
delay_commit() (httk.db.store.sqlstore.SqlStore method)
description (httk.db.backend.sqlite.Sqlite.SqliteCursor attribute)
destroy_tmpdir() (in module httk.core.basic)
det() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
DictStore (class in httk.db.store.dictstore)
DictStore.Keeper (class in httk.db.store.dictstore)
dim (httk.core.fracvector.FracVector attribute)
(httk.FracVector attribute)
dont_print_citations_at_exit() (in module httk.core.citation)
DoscarReader (class in httk.iface.vasp_if)
dot() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
duplicate() (httk.db.filteredcollection.FilteredCollection method)

E

edwards() (in module httk.core.ed25519)
eigenvalues_to_bandlines() (in module httk.iface.vasp_if)
element_wyckoff_sequence (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
encodeint() (in module httk.core.ed25519)
encodepoint() (in module httk.core.ed25519)
execute() (httk.db.backend.sqlite.Sqlite.SqliteCursor method)
expmod() (in module httk.core.ed25519)
Expression (class in httk.db.filteredcollection)
extbonds() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
extended (httk.atomistic.Assignments attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.assignments.Assignments attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
extensions (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
eye() (httk.core.fracvector.FracVector class method)
(httk.FracVector class method)

F

fc_checkcontext() (in module httk.db.filteredcollection)
fc_eval() (in module httk.db.filteredcollection)
fc_get_srctable_context() (in module httk.db.filteredcollection)
fc_sql() (in module httk.db.filteredcollection)
FCDict (class in httk.db.filteredcollection)
FCMultiDict (class in httk.db.filteredcollection)
FCMultiSqlite (class in httk.db.filteredcollection)
FCSqlite (class in httk.db.filteredcollection)
fetch_codependent_data() (httk.db.httkobjdbplugin.HttkObjDbPlugin method)
fetchall() (httk.db.backend.sqlite.Sqlite.SqliteCursor method)
fetchone() (httk.db.backend.sqlite.Sqlite.SqliteCursor method)
fill_cell() (httk.atomistic.ScalelessStructure method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
FilteredCollection (class in httk.db.filteredcollection)
find_all() (httk.db.storable.Storable class method)
find_index() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
find_one() (httk.db.storable.Storable class method)
find_symetry() (httk.atomistic.ScalelessStructure method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
flatten() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.basic)
floor() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
formula (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
formula_counts (httk.atomistic.Compound attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
formula_symbols (httk.atomistic.Compound attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
FracScalar (class in httk)
(class in httk.core.fracvector)
FracVector (class in httk)
(class in httk.core.fracvector)
from_Atoms() (httk.external.ase_glue.StructureAsePlugin class method)
from_floats() (httk.core.fracvector.FracVector class method)
(httk.FracVector class method)
from_FracVector() (httk.core.mutablefracvector.MutableFracVector class method)
(httk.MutableFracVector class method)
from_tuple() (httk.core.fracvector.FracVector class method)
(httk.FracVector class method)
Function (class in httk.db.filteredcollection)
function() (httk.db.filteredcollection.FCDict method)
(httk.db.filteredcollection.FCSqlite method)

G

gapdata_dos() (in module httk.iface.vasp_if)
gapdata_eigenvalues() (in module httk.iface.vasp_if)
ged_prestacked() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
ged_stackedinsert() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
generate_fake_potentials() (in module httk.iface.gulp_if)
generate_fake_potentials_try2() (in module httk.iface.gulp_if)
generate_keys() (in module httk.core.crypto)
get() (httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
get_append() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
get_cartesian_coordgroups() (httk.atomistic.sites.Sites method)
get_cartesian_coords() (httk.atomistic.sites.Sites method)
get_codependent_data() (httk.core.httkobject.HttkObject method)
(httk.HttkObject method)
get_crypto_signature() (in module httk.core.crypto)
get_extend() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
get_extensions() (httk.atomistic.assignment.Assignment method)
(httk.atomistic.siteassignment.SiteAssignment method)
get_insert() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
get_magmom() (in module httk.iface.vasp_if)
get_magnetizations() (in module httk.iface.vasp_if)
get_names() (httk.atomistic.Compound method)
(httk.atomistic.compound.Compound method)
get_normalized() (httk.atomistic.Cell method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
get_phasediagram() (httk.atomistic.StructurePhaseDiagram method)
(httk.atomistic.structurephasediagram.StructurePhaseDiagram method)
get_prepend() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
get_prextend() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
get_projects() (httk.Computation method)
(httk.core.computation.Computation method)
get_proper_hm_symbol() (in module httk.atomistic.data.spacegroups)
get_pseudopotential() (in module httk.iface.vasp_if)
get_rc_cells() (httk.atomistic.ScalelessStructure method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
get_refs() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
(httk.atomistic.structure.Structure method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
get_row() (httk.db.backend.sqlite.Sqlite method)
get_rows() (httk.db.backend.sqlite.Sqlite method)
get_srctable_context() (httk.db.filteredcollection.Expression method)
get_stacked() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
get_stidy_spacegroup() (in module httk.iface.platon_if)
get_tag() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
(httk.atomistic.structure.Structure method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
get_tags() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
(httk.atomistic.structure.Structure method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
get_val() (httk.db.backend.sqlite.Sqlite method)
get_weight() (httk.atomistic.assignment.Assignment method)

H

H() (in module httk.core.ed25519)
hall_rotation_term() (in module httk.atomistic.spacegrouputils)
hall_symbol (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
has_rc_repr (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
has_uc_repr (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
hexhash (httk.core.httkobject.HttkObject attribute)
(httk.HttkObject attribute)
hexhash_ioa() (in module httk.core.crypto)
hexhash_str() (in module httk.core.crypto)
Hint() (in module httk.core.ed25519)
httk (module)
httk.analysis (module)
httk.analysis.matsci (module)
httk.analysis.matsci.phasediagram (module)
httk.analysis.matsci.vis (module)
httk.analysis.matsci.vis.matplotlibphasediagramvisualizer (module)
httk.analysis.matsci.vis.phasediagramvisualizerplugin (module)
httk.atomistic (module)
httk.atomistic.assignment (module)
httk.atomistic.assignments (module)
httk.atomistic.cell (module)
httk.atomistic.cellshape (module)
httk.atomistic.cellutils (module)
httk.atomistic.compound (module)
httk.atomistic.data (module)
httk.atomistic.data.periodictable (module)
httk.atomistic.data.spacegroups (module)
httk.atomistic.io (module)
httk.atomistic.io.structure_cif_io (module)
httk.atomistic.io.structure_io (module)
httk.atomistic.io.structureioplugin (module)
httk.atomistic.representativesites (module)
httk.atomistic.results (module)
httk.atomistic.results.relaxedcellresult (module)
httk.atomistic.results.totalenergyresult (module)
httk.atomistic.scalelessstructure (module)
httk.atomistic.siteassignment (module)
httk.atomistic.sites (module)
httk.atomistic.sitesutils (module)
httk.atomistic.spacegroup (module)
httk.atomistic.spacegrouputils (module)
httk.atomistic.structure (module)
httk.atomistic.structurephasediagram (module)
httk.atomistic.structureutils (module)
httk.atomistic.unitcellsites (module)
httk.atomistic.unitcellstructure (module)
httk.atomistic.vis (module)
httk.atomistic.vis.asestructurevisualizer (module)
httk.atomistic.vis.jmolstructurevisualizer (module)
httk.atomistic.vis.structurephasediagramvisualizerplugin (module)
httk.atomistic.vis.structurevisualizerplugin (module)
httk.config (module)
httk.core (module)
httk.core.basic (module)
httk.core.citation (module)
httk.core.code (module)
httk.core.computation (module)
httk.core.crypto (module)
httk.core.ed25519 (module)
httk.core.fracvector (module)
httk.core.geometry (module)
httk.core.httkobject (module)
httk.core.ioadapters (module)
httk.core.mutablefracvector (module)
httk.core.project (module)
httk.core.reference (module)
httk.core.signature (module)
httk.core.template (module)
httk.db (module)
httk.db.backend (module)
httk.db.backend.sqlite (module)
httk.db.filteredcollection (module)
httk.db.httkobjdbplugin (module)
httk.db.storable (module)
httk.db.store (module)
httk.db.store.dictstore (module)
httk.db.store.sqlstore (module)
httk.db.store.trivialstore (module)
httk.external (module)
httk.external.aflow_ext (module)
httk.external.ase_glue (module)
httk.external.cif2cell_ext (module)
httk.external.command (module)
httk.external.gulp_ext (module)
httk.external.isotropy_ext (module)
httk.external.jmol (module)
httk.external.numpy_ext (module)
httk.external.platon_ext (module)
httk.external.pymatgen_glue (module)
httk.external.pyspglib_ext (module)
httk.external.subimport (module)
httk.graphics (module)
httk.graphics.matplotlib (module)
httk.graphics.matplotlib.arrowplot (module)
httk.graphics.matplotlib.polygonplot (module)
httk.iface (module)
httk.iface.ase_if (module)
httk.iface.cif2cell_if (module)
httk.iface.gulp_if (module)
httk.iface.isotropy_if (module)
httk.iface.jmol_if (module)
httk.iface.openbabel_if_notstable (module)
httk.iface.platon_if (module)
httk.iface.spglib_if (module)
httk.iface.vasp_if (module)
httk.io (module)
httk.io.load (module)
httk.io.save (module)
httk.task (module)
httk.task.reader (module)
httk.task.taskmgr (module)
httk_dir (in module httk)
(in module httk.config)
httk_typed_init() (in module httk)
(in module httk.core.httkobject)
httk_typed_init_delayed() (in module httk)
(in module httk.core.httkobject)
httk_typed_property() (in module httk)
(in module httk.core.httkobject)
httk_typed_property_delayed() (in module httk)
(in module httk.core.httkobject)
httk_typed_property_resolve() (in module httk.core.httkobject)
HttkObjDbPlugin (class in httk.db.httkobjdbplugin)
HttkObject (class in httk)
(class in httk.core.httkobject)
HttkPlugin (class in httk)
(class in httk.core.httkobject)
HttkPluginPlaceholder (class in httk)
(class in httk.core.httkobject)
HttkPluginWrapper (class in httk)
(class in httk.core.httkobject)
HttkTypedProperty (class in httk.core.httkobject)
hull_competing_indices (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
hull_competing_phase_lines() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
hull_distances (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
hull_indices (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
hull_point_coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
hull_points() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
hull_to_interior_competing_phase_lines() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
hull_z() (in module httk.core.geometry)

I

initialize() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
inmap() (in module httk.core.mutablefracvector)
insert() (httk.db.backend.sqlite.Sqlite method)
(httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
insert_row() (httk.db.backend.sqlite.Sqlite method)
instantiate_from_store() (in module httk.db.filteredcollection)
int_to_anonymous_symbol() (in module httk.core.basic)
interior_competing_phase_lines() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
interior_point_coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
inv() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.ed25519)
invalidate() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
io (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.structure.Structure attribute)
IoAdapterFileAppender (class in httk)
(class in httk.core.ioadapters)
IoAdapterFilename (class in httk.core.ioadapters)
IoAdapterFileReader (class in httk)
(class in httk.core.ioadapters)
IoAdapterFileWriter (class in httk)
(class in httk.core.ioadapters)
IoAdapterString (class in httk)
(class in httk.core.ioadapters)
IoAdapterStringList (class in httk), [1]
(class in httk.core.ioadapters)
is_any_part_of_cube_inside_cell() (in module httk.core.geometry)
is_dualmagnetic() (in module httk.iface.vasp_if)
is_in() (httk.db.filteredcollection.Expression method)
is_point_inside() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
is_point_inside_cell() (in module httk.core.geometry)
is_point_inside_tetra() (in module httk.core.geometry)
is_sequence() (in module httk.core.basic)
is_unary() (in module httk.core.basic)
isoncurve() (in module httk.core.ed25519)
isotropy() (in module httk.external.isotropy_ext)

J

jmol() (in module httk.external.gulp_ext)
JmolStructureVisualizer (class in httk.atomistic.vis.jmolstructurevisualizer)

K

KpointsReader (class in httk.iface.vasp_if)

L

lengths_angles_to_niggli() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
lengthsqr() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
limit_denominator() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
line_coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
list_set_slice() (in module httk.core.mutablefracvector)
list_slice() (in module httk.core.mutablefracvector)
load() (httk.atomistic.io.structureioplugin.StructureIoPlugin class method)
(in module httk)
(in module httk.io.load)
load_struct() (in module httk.atomistic.io.structure_io)

M

magnetization_recurse() (in module httk.iface.vasp_if)
main() (in module httk.atomistic.assignment)
(in module httk.atomistic.assignments)
(in module httk.atomistic.cell)
(in module httk.atomistic.cellshape)
(in module httk.atomistic.cellutils)
(in module httk.atomistic.compound)
(in module httk.atomistic.representativesites)
(in module httk.atomistic.scalelessstructure)
(in module httk.atomistic.siteassignment)
(in module httk.atomistic.sites)
(in module httk.atomistic.sitesutils)
(in module httk.atomistic.spacegroup)
(in module httk.atomistic.spacegrouputils)
(in module httk.atomistic.structure)
(in module httk.atomistic.structurephasediagram)
(in module httk.atomistic.structureutils)
(in module httk.atomistic.unitcellsites)
(in module httk.core.basic)
(in module httk.core.code)
(in module httk.core.computation)
(in module httk.core.crypto)
(in module httk.core.ed25519)
(in module httk.core.fracvector)
(in module httk.core.mutablefracvector)
(in module httk.core.project)
(in module httk.core.reference)
(in module httk.core.signature)
(in module httk.external.jmol)
manifest_dir() (in module httk.core.crypto)
MatplotlibPhaseDiagramVisualizer (class in httk.analysis.matsci.vis.matplotlibphasediagramvisualizer)
max() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
metric_product() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
metric_to_niggli() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
micro_pyawk() (in module httk.core.basic)
min() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
mkdir_p() (in module httk.core.basic)
modify_structure() (httk.db.backend.sqlite.Sqlite method)
most_common_mass() (in module httk.atomistic.data.periodictable)
mul() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
MutableFracVector (class in httk)
(class in httk.core.mutablefracvector)

N

name (httk.external.ase_glue.StructureAsePlugin attribute)
nargmax() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
nargmin() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
nested_inmap() (httk.core.mutablefracvector.MutableFracVector static method)
(httk.MutableFracVector static method)
nested_inmap_list() (in module httk.core.mutablefracvector)
nested_map() (httk.core.fracvector.FracVector static method)
(httk.FracVector static method)
(httk.MutableFracVector static method)
(httk.core.mutablefracvector.MutableFracVector static method)
nested_map_fractions() (httk.core.fracvector.FracVector static method)
(httk.FracVector static method)
(httk.MutableFracVector static method)
(httk.core.mutablefracvector.MutableFracVector static method)
nested_map_fractions_list() (in module httk.core.fracvector)
nested_map_fractions_tuple() (in module httk.core.fracvector)
nested_map_list() (in module httk.core.fracvector)
nested_map_tuple() (in module httk.core.fracvector)
nested_reduce() (in module httk.core.fracvector)
nested_reduce_fractions() (in module httk.core.fracvector)
nested_reduce_levels() (in module httk.core.fracvector)
nested_split() (in module httk.core.basic)
new() (httk.db.storable.TrivialStore method)
(httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
(httk.db.store.trivialstore.TrivialStore method)
new_from() (httk.core.httkobject.HttkObject class method)
(httk.HttkObject class method)
niggli_scale_to_vol() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
niggli_to_basis() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
niggli_to_cell_old() (in module httk.atomistic.structureutils)
niggli_to_lengths_angles() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
niggli_to_metric() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
niggli_vol_to_scale() (in module httk.atomistic.structureutils)
nom (httk.core.fracvector.FracVector attribute)
(httk.FracVector attribute)
normalization_scale (httk.atomistic.Cell attribute)
(httk.atomistic.cell.Cell attribute)
normalize() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
normalize_half() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
normalized_formula() (in module httk.atomistic.structureutils)
normalized_formula_parts() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
number_of_elements (httk.atomistic.Compound attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
numpy_quickhull_2d() (in module httk.core.geometry)

O

occupations_and_coords_to_assignments_and_coordgroups() (in module httk.atomistic.structureutils)
orthogonal_supercell_transformation() (httk.atomistic.Structure method)
(httk.atomistic.structure.Structure method)
other_point_coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
out_to_cif() (in module httk.iface.isotropy_if)
out_to_struct() (in module httk.iface.cif2cell_if)
OutcarReader (class in httk.iface.vasp_if)
output() (httk.db.filteredcollection.FilteredCollection method)

P

params() (httk.analysis.matsci.vis.phasediagramvisualizerplugin.PhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.structurevisualizerplugin.StructureVisualizerPlugin method)
parse() (httk.iface.vasp_if.DoscarReader method)
(httk.iface.vasp_if.KpointsReader method)
(httk.iface.vasp_if.OutcarReader method)
(httk.iface.vasp_if.PoscarReader method)
parse_doscar() (in module httk.iface.vasp_if)
parse_hall_symbol() (in module httk.atomistic.spacegrouputils)
parse_kpoints() (in module httk.iface.vasp_if)
parse_outcar() (in module httk.iface.vasp_if)
parse_parexpr() (in module httk.core.basic)
pbc (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pbc_to_nonperiodic_vecs() (in module httk.atomistic.sitesutils)
periodicity_to_pbc() (in module httk.atomistic.sitesutils)
phase_lines (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
PhaseDiagram (class in httk.analysis.matsci.phasediagram)
PhaseDiagramVisualizerPlugin (class in httk.analysis.matsci.vis.phasediagramvisualizerplugin)
platon() (in module httk.external.platon_ext)
platon_lis_to_struct_broken() (in module httk.iface.platon_if)
platon_lis_to_struct_broken2() (in module httk.iface.platon_if)
platon_sites_to_styin() (in module httk.iface.platon_if)
platon_styin_to_sgstruct() (in module httk.iface.platon_if)
platon_styout_to_sgstruct() (in module httk.iface.platon_if)
platon_styout_to_structure() (in module httk.iface.platon_if)
plugin_init() (httk.analysis.matsci.vis.phasediagramvisualizerplugin.PhaseDiagramVisualizerPlugin method)
(httk.atomistic.io.structureioplugin.StructureIoPlugin method)
(httk.atomistic.vis.structurephasediagramvisualizerplugin.StructurePhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.structurevisualizerplugin.StructureVisualizerPlugin method)
(httk.db.httkobjdbplugin.HttkObjDbPlugin method)
(httk.external.ase_glue.StructureAsePlugin method)
PolygonPlot (class in httk.graphics.matplotlib.polygonplot)
polyhedra() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
poscar_to_strs() (in module httk.iface.vasp_if)
poscar_to_structure() (in module httk.iface.vasp_if)
PoscarReader (class in httk.iface.vasp_if)
postconnect() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
preconnect() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
prepare_single_run() (in module httk.iface.vasp_if)
primitive() (in module httk.external.pyspglib_ext)
primitive_from_conventional_cell() (in module httk.external.ase_glue)
print_citations() (in module httk.core.citation)
print_citations_at_exit() (in module httk.core.citation)
Project (class in httk)
(class in httk.core.project)
ProjectOwner (class in httk.core.project)
ProjectRef (class in httk)
(class in httk.core.project)
ProjectTag (class in httk)
(class in httk.core.project)
prototype_formula() (in module httk.atomistic.structureutils)
publickey() (in module httk.core.ed25519)
put() (httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
puts() (httk.db.store.dictstore.DictStore method)
(httk.db.store.dictstore.DictStore.Keeper method)
(httk.db.store.sqlstore.SqlStore method)
(httk.db.store.sqlstore.SqlStore.Keeper method)

Q

query() (httk.db.backend.sqlite.Sqlite method)

R

random() (httk.core.fracvector.FracVector class method)
(httk.FracVector class method)
ratio (httk.atomistic.siteassignment.SiteAssignment attribute)
ratios (httk.atomistic.Assignments attribute)
(httk.atomistic.assignments.Assignments attribute)
(httk.atomistic.siteassignment.SiteAssignment attribute)
ratioslist (httk.atomistic.Assignments attribute)
(httk.atomistic.assignments.Assignments attribute)
rc_a (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_alpha (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_b (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_basis (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_beta (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_c (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_cartesian_coordgroups (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_cartesian_coords (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_cell (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_cell_orientation (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_counts (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
rc_formula (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
rc_gamma (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_lengths_and_angles (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_nbr_atoms (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
rc_occupancies (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
rc_occupationssymbols (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
rc_reduced_coordgroups (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
rc_reduced_coords (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
rc_sites (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_structure_to_symbols_and_scaled_positions() (in module httk.iface.ase_if)
rc_volume (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
read_doscar() (in module httk.iface.vasp_if)
read_keys() (in module httk.core.crypto)
read_kpoints() (in module httk.iface.vasp_if)
read_manifest() (in module httk.task.reader)
read_outcar() (in module httk.iface.vasp_if)
read_poscar() (in module httk.iface.vasp_if)
reader() (in module httk.task.reader)
readstruct() (in module httk.iface.openbabel_if_notstable)
receive() (httk.external.command.Command method)
reciprocal() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
reduced_coordgroups (httk.atomistic.sites.Sites attribute)
reduced_coordgroups_to_input() (in module httk.iface.isotropy_if)
reduced_coords (httk.atomistic.sites.Sites attribute)
reduced_to_cartesian() (in module httk.atomistic.structureutils)
Reference (class in httk)
(class in httk.core.reference)
refresh() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
repeat() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
RepresentativeSites (class in httk.atomistic)
(class in httk.atomistic.representativesites)
reset() (httk.db.filteredcollection.FilteredCollection method)
Result (class in httk)
(class in httk.core.computation)
Result_RelaxedCellResult (class in httk.atomistic.results.relaxedcellresult)
Result_TotalEnergyResult (class in httk.atomistic.results.totalenergyresult)
retrieve() (httk.db.storable.TrivialStore method)
(httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
(httk.db.store.trivialstore.TrivialStore method)
rollback() (httk.db.backend.sqlite.Sqlite method)
rotate() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
run() (httk.external.command.Command method)
(in module httk.external.jmol)

S

save() (httk.atomistic.io.structureioplugin.StructureIoPlugin method)
(httk.db.store.sqlstore.SqlStore method)
(in module httk)
(in module httk.io.save)
save_and_quit() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
save_struct() (in module httk.atomistic.io.structure_io)
scalarmult() (in module httk.core.ed25519)
scale_to_vol() (in module httk.atomistic.cellutils)
ScalelessStructure (class in httk.atomistic)
(class in httk.atomistic.scalelessstructure)
scaling() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
scaling_to_volume() (in module httk.atomistic.cellutils)
searcher() (httk.db.store.sqlstore.SqlStore method)
send() (httk.external.command.Command method)
set_common_denom() (httk.core.fracvector.FracVector class method)
(httk.FracVector class method)
set_defaults() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
set_denominator() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
set_hull_data() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
set_inv() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_mp_key() (in module httk.external.pymatgen_glue)
set_negative() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_normalize() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_normalize_half() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_set_denominator() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_simplify() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_T() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
setup_phasediagram() (in module httk.atomistic.structurephasediagram)
sha256file() (in module httk.core.crypto)
show() (httk.analysis.matsci.vis.matplotlibphasediagramvisualizer.MatplotlibPhaseDiagramVisualizer method)
(httk.analysis.matsci.vis.phasediagramvisualizerplugin.PhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.asestructurevisualizer.AseStructureVisualizer method)
(httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
(httk.atomistic.vis.structurephasediagramvisualizerplugin.StructurePhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.structurevisualizerplugin.StructureVisualizerPlugin method)
(in module httk.external.gulp_ext)
sign() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
Signature (class in httk)
(class in httk.core.signature)
signature() (in module httk.core.ed25519)
SignatureKey (class in httk)
(class in httk.core.signature)
simplex_le_solver() (in module httk.core.geometry)
simplify() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
SiteAssignment (class in httk.atomistic.siteassignment)
Sites (class in httk.atomistic.sites)
sites_tidy() (in module httk.atomistic.sitesutils)
sites_to_platon() (in module httk.iface.platon_if)
SlStructureCell (class in httk.atomistic.scalelessstructure)
SlStructureRef (class in httk.atomistic.scalelessstructure)
SlStructureTag (class in httk.atomistic.scalelessstructure)
sort_coordgroups() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
Spacegroup (class in httk.atomistic.spacegroup)
spacegroup_get_hall() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_get_hm() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_get_number() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_get_number_and_setting() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_get_number_of_settings() (in module httk.atomistic.data.spacegroups)
spacegroup_get_schoenflies() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_number (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
spacegroup_number_and_setting (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.spacegroup.Spacegroup attribute)
spacegroupobj (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
spglib_out_to_struct() (in module httk.iface.spglib_if)
spin() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
sql() (httk.db.filteredcollection.FCSqlite method)
Sqlite (class in httk.db.backend.sqlite)
Sqlite.SqliteCursor (class in httk.db.backend.sqlite)
SqlStore (class in httk.db.store.sqlstore)
SqlStore.Keeper (class in httk.db.store.sqlstore)
stack_vecs() (httk.core.fracvector.FracVector class method)
(httk.FracVector class method)
standard_primitive() (in module httk.external.aflow_ext)
start() (httk.external.command.Command method)
(in module httk.external.jmol)
stdin (httk.external.command.Command attribute)
stop() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
(httk.external.command.Command method)
Storable (class in httk.db.storable)
storable_init() (httk.db.storable.Storable method)
storable_props() (in module httk.db.storable)
storable_types() (in module httk.db.storable)
store() (httk.db.httkobjdbplugin.HttkObjDbPlugin method)
store_codependent_data() (httk.db.httkobjdbplugin.HttkObjDbPlugin method)
store_table() (httk.db.filteredcollection.FCSqlite method)
(httk.db.filteredcollection.FilteredCollection method)
string (httk.core.ioadapters.IoAdapterString attribute)
(httk.IoAdapterString attribute)
struct_process_with_isotropy() (in module httk.external.isotropy_ext)
struct_to_cif() (in module httk.atomistic.io.structure_cif_io)
struct_to_cif_httk() (in module httk.atomistic.io.structure_cif_io)
struct_to_input() (in module httk.iface.isotropy_if)
Structure (class in httk.atomistic)
(class in httk.atomistic.structure)
structure_addsym_and_tidy() (in module httk.external.platon_ext)
structure_reduced_coordgroups_to_representative() (in module httk.atomistic.sitesutils)
structure_reduced_uc_to_representative() (in module httk.atomistic.structureutils)
structure_tidy() (in module httk.atomistic.structureutils)
(in module httk.external.platon_ext)
structure_tidy_old() (in module httk.external.platon_ext)
structure_to_ase_atoms() (in module httk.external.ase_glue)
structure_to_comment() (in module httk.iface.vasp_if)
structure_to_gulp() (in module httk.iface.gulp_if)
structure_to_jmol() (in module httk.iface.jmol_if)
structure_to_p1structure() (in module httk.atomistic.structureutils)
structure_to_platon() (in module httk.iface.platon_if)
structure_to_poscar() (in module httk.iface.vasp_if)
structure_to_sgstructure() (in module httk.atomistic.structureutils)
(in module httk.external.platon_ext)
structure_to_spglib_atoms() (in module httk.external.pyspglib_ext)
StructureAsePlugin (class in httk.external.ase_glue)
StructureIoPlugin (class in httk.atomistic.io.structureioplugin)
StructurePhaseDiagram (class in httk.atomistic)
(class in httk.atomistic.structurephasediagram)
StructurePhaseDiagramCompetingIndicies (class in httk.atomistic.structurephasediagram)
StructurePhaseDiagramVisualizerPlugin (class in httk.atomistic.vis.structurephasediagramvisualizerplugin)
StructureRef (class in httk.atomistic)
(class in httk.atomistic.structure)
StructureTag (class in httk.atomistic)
(class in httk.atomistic.structure)
StructureVisualizerPlugin (class in httk.atomistic.vis.structurevisualizerplugin)
subdata() (httk.db.filteredcollection.FCMultiDict method)
submit_reader() (in module httk.task.reader)
submodule_import_external() (in module httk.external.subimport)
subtable() (httk.db.filteredcollection.FCSqlite method)
symbol (httk.atomistic.assignment.Assignment attribute)
(httk.atomistic.siteassignment.SiteAssignment attribute)
symbollists (httk.atomistic.Assignments attribute)
(httk.atomistic.assignments.Assignments attribute)
symbols (httk.atomistic.Assignments attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.assignments.Assignments attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.siteassignment.SiteAssignment attribute)

T

T() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
table() (httk.db.filteredcollection.FCSqlite method)
table_exists() (httk.db.backend.sqlite.Sqlite method)
TableOrColumn (class in httk.db.filteredcollection)
tidy() (httk.atomistic.RepresentativeSites method)
(httk.atomistic.ScalelessStructure method)
(httk.atomistic.representativesites.RepresentativeSites method)
(httk.atomistic.scalelessstructure.ScalelessStructure method)
to() (httk.core.httkobject.HttkObject method)
(httk.HttkObject method)
to_Atoms() (httk.external.ase_glue.StructureAsePlugin method)
to_basis() (httk.atomistic.Assignments method)
(httk.atomistic.assignments.Assignments method)
(httk.atomistic.siteassignment.SiteAssignment method)
to_float() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
to_floats() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
to_fraction() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
to_fractions() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
to_FracVector() (httk.core.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
to_int() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
to_ints() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
to_tuple() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
(httk.HttkObject method)
(httk.core.httkobject.HttkObject method)
translate_coords() (httk.graphics.matplotlib.polygonplot.PolygonPlot method)
TrivialStore (class in httk.db.storable)
(class in httk.db.store.trivialstore)
trivialstore (httk.db.storable.Storable attribute)
tuple_eye() (in module httk.core.fracvector)
tuple_index() (in module httk.core.fracvector)
tuple_random() (in module httk.core.fracvector)
tuple_slice() (in module httk.core.fracvector)
tuple_to_hexhash() (in module httk.core.crypto)
tuple_to_str() (in module httk.core.basic)
(in module httk.core.crypto)
tuple_zeros() (in module httk.core.fracvector)
types() (httk.core.httkobject.HttkObject class method)
(httk.HttkObject class method)

U

uc_a (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_alpha (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_b (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_basis (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_beta (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_c (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cartesian_coordgroups (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cartesian_coords (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cartesian_occupationscoords (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cell (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cell_orientation (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_counts (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_formula (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_formula_counts (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_formula_parts (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
uc_formula_symbols (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_gamma (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_lengths_and_angles (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_nbr_atoms (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_occupancies (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_occupationssymbols (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
uc_reduced_coordgroups (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_reduced_coordgroups_process_with_isotropy() (in module httk.external.isotropy_ext)
uc_reduced_coords (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_reduced_occupationscoords (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_sites (httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_structure_to_symbols_and_scaled_positions() (in module httk.iface.ase_if)
uc_symbols (httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_volume (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
UCStructureRef (class in httk.atomistic.unitcellstructure)
UCStructureTag (class in httk.atomistic.unitcellstructure)
UnaryBooleanOp (class in httk.db.filteredcollection)
UnitcellSites (class in httk.atomistic)
(class in httk.atomistic.unitcellsites)
UnitcellStructure (class in httk.atomistic)
(class in httk.atomistic.unitcellstructure)
universal_opener() (in module httk.core.ioadapters)
update() (httk.db.backend.sqlite.Sqlite method)
update_row() (httk.db.backend.sqlite.Sqlite method)
use() (httk.atomistic.assignment.Assignment class method)
(httk.FracVector class method)
(httk.HttkObject class method)
(httk.IoAdapterFileAppender class method)
(httk.IoAdapterFileReader class method)
(httk.IoAdapterFileWriter class method)
(httk.IoAdapterString class method)
(httk.IoAdapterStringList class method), [1]
(httk.MutableFracVector class method)
(httk.atomistic.Assignments class method)
(httk.atomistic.assignments.Assignments class method)
(httk.atomistic.siteassignment.SiteAssignment class method)
(httk.atomistic.sites.Sites class method)
(httk.core.fracvector.FracVector class method)
(httk.core.httkobject.HttkObject class method)
(httk.core.ioadapters.IoAdapterFileAppender class method)
(httk.core.ioadapters.IoAdapterFileReader class method)
(httk.core.ioadapters.IoAdapterFileWriter class method)
(httk.core.ioadapters.IoAdapterFilename class method)
(httk.core.ioadapters.IoAdapterString class method)
(httk.core.ioadapters.IoAdapterStringList class method)
(httk.core.mutablefracvector.MutableFracVector class method)

V

validate() (httk.core.fracvector.FracVector method)
(httk.FracVector method)
(httk.MutableFracVector method)
(httk.core.mutablefracvector.MutableFracVector method)
variable() (httk.db.filteredcollection.FilteredCollection method)
(httk.db.storable.Storable class method)
verify_crytpo_signature() (in module httk.core.crypto)
verify_crytpo_signature_old() (in module httk.core.crypto)
version (in module httk)
vis (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)
vol_to_scale() (in module httk.atomistic.cellutils)
volume (httk.atomistic.Cell attribute)
(httk.atomistic.cell.Cell attribute)

W

wait() (httk.analysis.matsci.vis.phasediagramvisualizerplugin.PhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.asestructurevisualizer.AseStructureVisualizer method)
(httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
(httk.atomistic.vis.structurevisualizerplugin.StructureVisualizerPlugin method)
wait_finish() (httk.external.command.Command method)
write_generic_kpoints_file() (in module httk.iface.vasp_if)
write_kpoints_file() (in module httk.iface.vasp_if)
write_poscar() (in module httk.iface.vasp_if)
wyckoff_sequence (httk.atomistic.Compound attribute)
(httk.atomistic.RepresentativeSites attribute)
(httk.atomistic.ScalelessStructure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.representativesites.RepresentativeSites attribute)
(httk.atomistic.scalelessstructure.ScalelessStructure attribute)

X

xrecover() (in module httk.core.ed25519)

Z

zdecompressor() (in module httk.core.ioadapters)
zeros() (httk.core.fracvector.FracVector class method)
(httk.FracVector class method)