tkcrystalbase プログラム仕様

cms.tkcrystalbase.angle(pos0, pos1, pos2, gij)[ソース]
cms.tkcrystalbase.cal_lattice_vectors(latt)[ソース]
cms.tkcrystalbase.cal_metrics(latt)[ソース]
cms.tkcrystalbase.cal_reciprocal_lattice_parameters(Raij)[ソース]
cms.tkcrystalbase.cal_reciprocal_lattice_vectors(aij)[ソース]
cms.tkcrystalbase.cal_volume(aij)[ソース]
cms.tkcrystalbase.distance(pos0, pos1, gij)[ソース]
cms.tkcrystalbase.distance2(pos0, pos1, gij)[ソース]
cms.tkcrystalbase.fractional_to_cartesian(pos, aij)[ソース]
cms.tkcrystalbase.main()[ソース]
cms.tkcrystalbase.reduce01(x)[ソース]
cms.tkcrystalbase.round01(x)[ソース]
cms.tkcrystalbase.round_parameter(x, tol)[ソース]