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Searched refs:homo_occ (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxas_env_types.F90 REAL(dp) :: ip_energy, occ_estate, unoccupied_eps, xas_nelectron, homo_occ component
257 xas_estate, xas_nelectron, homo_occ, scf_env, scf_control) argument
265 REAL(dp), INTENT(IN), OPTIONAL :: xas_nelectron, homo_occ local
281 IF (PRESENT(homo_occ)) xas_env%homo_occ = homo_occ
H A Dxas_restart.F401 IF (xas_env%homo_occ == 0) THEN
H A Dxas_tp_scf.F680 IF (xas_env%homo_occ == 0) THEN
H A Dxas_methods.F350 CALL set_xas_env(xas_env=xas_env, xas_estate=-1, homo_occ=xas_control%xes_homo_occupation)
745 nvirtual2=nvirtual2, nvirtual=nvirtual, homo_occ=occ_homo)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxas_env_types.F90 REAL(dp) :: ip_energy, occ_estate, unoccupied_eps, xas_nelectron, homo_occ component
257 xas_estate, xas_nelectron, homo_occ, scf_env, scf_control) argument
265 REAL(dp), INTENT(IN), OPTIONAL :: xas_nelectron, homo_occ local
281 IF (PRESENT(homo_occ)) xas_env%homo_occ = homo_occ
H A Dxas_restart.F401 IF (xas_env%homo_occ == 0) THEN
H A Dxas_tp_scf.F680 IF (xas_env%homo_occ == 0) THEN
H A Dxas_methods.F350 CALL set_xas_env(xas_env=xas_env, xas_estate=-1, homo_occ=xas_control%xes_homo_occupation)
745 nvirtual2=nvirtual2, nvirtual=nvirtual, homo_occ=occ_homo)