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Searched defs:mo_coeff_beta (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_rse.F91 Eigenval_beta, homo_beta, mo_coeff_beta) argument
101 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
391 fm_P_mu_nu_beta, mo_coeff_beta) argument
403 mo_coeff_beta local
510 …ontribution(qs_env, fm_XC_ao, fm_XC_ao_mo, fm_XC_mo, mo_coeff, dimen, fm_XC_mo_beta, mo_coeff_beta) argument
514 TYPE(cp_fm_type), OPTIONAL, POINTER :: fm_XC_mo_beta, mo_coeff_beta local
H A Dmp2_cphf.F131 Eigenval_beta, homo_beta, mo_coeff_beta) argument
143 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
935 mo_coeff_beta, mo_coeff_o_beta, mo_coeff_v_beta, & argument
955 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta, mo_coeff_o_beta, & local
1350 P_ia_beta, mo_coeff_beta, mo_coeff_o_beta, mo_coeff_v_beta, & argument
1369 TYPE(cp_fm_type), OPTIONAL, POINTER :: P_ia_beta, mo_coeff_beta, & local
H A Drpa_main.F164mo_coeff_beta, BIb_C_gw_beta, gw_corr_lev_occ_beta, gw_corr_lev_virt_beta) argument
199 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
1271 … gw_corr_lev_occ_beta, gw_corr_lev_virt_beta, mo_coeff_beta, do_ri_sos_laplace_mp2) argument
1314 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
H A Dmp2_ri_grad.F140 blacs_env_sub, Eigenval_beta, homo_beta, mo_coeff_beta) argument
159 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
H A Dmp2_gpw.F167 TYPE(cp_fm_type), POINTER :: mo_coeff, mo_coeff_beta local
H A Drpa_gw.F145 mo_coeff_beta, & argument
166 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_rse.F91 Eigenval_beta, homo_beta, mo_coeff_beta) argument
101 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
391 fm_P_mu_nu_beta, mo_coeff_beta) argument
403 mo_coeff_beta local
510 …ontribution(qs_env, fm_XC_ao, fm_XC_ao_mo, fm_XC_mo, mo_coeff, dimen, fm_XC_mo_beta, mo_coeff_beta) argument
514 TYPE(cp_fm_type), OPTIONAL, POINTER :: fm_XC_mo_beta, mo_coeff_beta local
H A Dmp2_cphf.F131 Eigenval_beta, homo_beta, mo_coeff_beta) argument
143 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
935 mo_coeff_beta, mo_coeff_o_beta, mo_coeff_v_beta, & argument
955 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta, mo_coeff_o_beta, & local
1350 P_ia_beta, mo_coeff_beta, mo_coeff_o_beta, mo_coeff_v_beta, & argument
1369 TYPE(cp_fm_type), OPTIONAL, POINTER :: P_ia_beta, mo_coeff_beta, & local
H A Dmp2_gpw.F184 TYPE(cp_fm_type), POINTER :: mo_coeff, mo_coeff_beta local
2130 … matrix_s, mo_coeff, mo_coeff_beta, homo, homo_beta, nmo, nspins, unit_nr, & argument
2144 TYPE(cp_fm_type), POINTER :: mo_coeff, mo_coeff_beta local
2290 mo_coeff_beta, nspins, homo, homo_beta, nmo, & argument
2294 TYPE(cp_fm_type), POINTER :: mo_coeff, mo_coeff_beta local
H A Drpa_main.F186mo_coeff_beta, BIb_C_gw_beta, gw_corr_lev_occ_beta, gw_corr_lev_virt_beta) argument
227 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
1397 … gw_corr_lev_occ_beta, gw_corr_lev_virt_beta, mo_coeff_beta, do_ri_sos_laplace_mp2) argument
1445 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
H A Dmp2_ri_grad.F139 blacs_env_sub, Eigenval_beta, homo_beta, mo_coeff_beta) argument
158 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local
H A Drpa_gw.F165 mo_coeff_beta, mat_3c_overl_int_gw_beta, & argument
198 TYPE(cp_fm_type), OPTIONAL, POINTER :: mo_coeff_beta local