Searched refs:hf_fraction (Results 1 – 6 of 6) sorted by relevance
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/cp2k/ |
H A D | sets.py | 458 hf_fraction: float = 0.25, 579 "SCALE_X": Keyword("SCALE_X", -hf_fraction), 892 hf_fraction: float = 0.25, 922 self.hf_fraction = hf_fraction 940 hf_fraction=hf_fraction, 966 hf_fraction: float = 0.25, 996 self.hf_fraction = hf_fraction 1014 hf_fraction=hf_fraction, 1040 hf_fraction: float = 0.25, 1070 self.hf_fraction = hf_fraction [all …]
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hfx_derivatives.F | 159 compression_factor, eps_schwarz, eps_storage, fac, hf_fraction, ln_10, log10_eps_schwarz, & local 404 hf_fraction = general_parameter%fraction 405 hf_fraction = hf_fraction*my_adiabatic_rescale_factor 1030 fac = 0.25_dp*hf_fraction 1032 fac = 0.5_dp*hf_fraction
|
H A D | hfx_energy_potential.F | 195 eps_storage, etmp, fac, hf_fraction, ln_10, log10_eps_schwarz, log10_pmax, & local 694 hf_fraction = general_parameter%fraction 847 fac = 0.5_dp*hf_fraction 849 fac = 1.0_dp*hf_fraction
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hfx_derivatives.F | 163 compression_factor, eps_schwarz, eps_storage, fac, hf_fraction, ln_10, log10_eps_schwarz, & local 410 hf_fraction = general_parameter%fraction 411 hf_fraction = hf_fraction*my_adiabatic_rescale_factor 1036 fac = 0.25_dp*hf_fraction 1038 fac = 0.5_dp*hf_fraction
|
H A D | hfx_ri.F | 756 geometry_did_change, nspins, hf_fraction) argument 766 REAL(KIND=dp), INTENT(IN) :: hf_fraction local 788 fac = 0.5_dp*hf_fraction 790 fac = 1.0_dp*hf_fraction
|
H A D | hfx_energy_potential.F | 195 eps_storage, etmp, fac, hf_fraction, ln_10, log10_eps_schwarz, log10_pmax, & local 694 hf_fraction = general_parameter%fraction 847 fac = 0.5_dp*hf_fraction 849 fac = 1.0_dp*hf_fraction
|