Index

C

calc_finished() (parcalc.parcalc.ClusterVasp method) calculate() (parcalc.parcalc.ClusterVasp method) clean() (parcalc.parcalc.ClusterVasp method)

ClusterAims (class in parcalc.parcalc) ClusterSiesta (class in parcalc.parcalc) ClusterVasp (class in parcalc.parcalc)

E

elastic.elastic (module)

G

get_BM_EOS() (in module elastic.elastic) get_bulk_modulus() (in module elastic.elastic) get_cart_deformed_cell() (in module elastic.elastic) get_cij_order() (in module elastic.elastic) get_deformed_cell() (in module elastic.elastic)

get_elastic_tensor() (in module elastic.elastic) get_elementary_deformations() (in module elastic.elastic) get_lattice_type() (in module elastic.elastic) get_pressure() (in module elastic.elastic) get_strain() (in module elastic.elastic) get_vecang_cell() (in module elastic.elastic)

H

hexagonal() (in module elastic.elastic)

M

monoclinic() (in module elastic.elastic)

O

orthorombic() (in module elastic.elastic)

P

ParallelCalculate() (parcalc.parcalc.RemoteCalculator class method) parcalc.parcalc (module)

ParCalculate() (in module parcalc.parcalc) prepare_calc_dir() (parcalc.parcalc.ClusterVasp method)

R

read_results() (parcalc.parcalc.RemoteCalculator method) regular() (in module elastic.elastic)

RemoteCalculator (class in parcalc.parcalc) run() (parcalc.parcalc.ClusterVasp method) run_calculation() (parcalc.parcalc.RemoteCalculator method)

S

scan_pressures() (in module elastic.elastic)

scan_volumes() (in module elastic.elastic)

T

tetragonal() (in module elastic.elastic)

triclinic() (in module elastic.elastic) trigonal() (in module elastic.elastic)

W

work_dir() (in module parcalc.parcalc)

write_input() (parcalc.parcalc.RemoteCalculator method)