httk.atomistic.results package

Submodules

httk.atomistic.results.relaxedcellresult module

class httk.atomistic.results.relaxedcellresult.Result_RelaxedCellResult(computation, compound, relaxed_structure, primitive_cell, volume_per_atom, minimum_energy)[source]

Bases: httk.core.computation.Result

httk.atomistic.results.totalenergyresult module

class httk.atomistic.results.totalenergyresult.Result_TotalEnergyResult(computation, structure, total_energy)[source]

Bases: httk.core.computation.Result

Module contents