Searched refs:mos_stashed (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf.F | 1204 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos, mos_stashed local
1211 NULLIFY (energy, gradient, p_rmpv, rho_ao_kp, mos, rho, mos_stashed, &
1250 ALLOCATE (mos_stashed(nspins))
1252 CALL duplicate_mo_set(mos_stashed(ispin)%mo_set, mos(ispin)%mo_set)
1347 CALL deallocate_mo_set(mos_stashed(ispin)%mo_set)
1411 mos_stashed, ks_env, scf_env, scf_control, dft_control, &
1456 ALLOCATE (mos_stashed(nspins))
1458 CALL duplicate_mo_set(mos_stashed(ispin)%mo_set, mos(ispin)%mo_set)
1624 CALL duplicate_mo_set(mos(ispin)%mo_set, mos_stashed(ispin)%mo_set)
1644 CALL deallocate_mo_set(mos_stashed(ispin)%mo_set)
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_scf.F | 1170 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos, mos_stashed local
1177 NULLIFY (energy, gradient, p_rmpv, rho_ao_kp, mos, rho, mos_stashed, &
1216 ALLOCATE (mos_stashed(nspins))
1218 CALL duplicate_mo_set(mos_stashed(ispin)%mo_set, mos(ispin)%mo_set)
1313 CALL deallocate_mo_set(mos_stashed(ispin)%mo_set)
1377 mos_stashed, ks_env, scf_env, scf_control, dft_control, &
1422 ALLOCATE (mos_stashed(nspins))
1424 CALL duplicate_mo_set(mos_stashed(ispin)%mo_set, mos(ispin)%mo_set)
1590 CALL duplicate_mo_set(mos(ispin)%mo_set, mos_stashed(ispin)%mo_set)
1610 CALL deallocate_mo_set(mos_stashed(ispin)%mo_set)
[all …]
|