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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/cp2k/
H A Dsets.py458 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 Dhfx_derivatives.F159 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 Dhfx_energy_potential.F195 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 Dhfx_derivatives.F163 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 Dhfx_ri.F756 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 Dhfx_energy_potential.F195 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