work_orb_nmo (reference) in projects: dports

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Searched refs:work_orb_nmo (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	admm_types.F	`98 work_orb_nmo => Null(), & component 219 ALLOCATE (admm_env%work_orb_nmo(nspins)) 258 … CALL cp_fm_create(admm_env%work_orb_nmo(ispin)%matrix, fm_struct_orb_nmo, name="work_orb_nmo") 374 CALL cp_fm_release(admm_env%work_orb_nmo(ispin)%matrix) 401 DEALLOCATE (admm_env%work_orb_nmo)`
H A D	admm_methods.F	458 admm_env%work_orb_nmo(ispin)%matrix) 460 1.0_dp, mo_coeff, admm_env%work_orb_nmo(ispin)%matrix, 0.0_dp, & 520 admm_env%work_orb_nmo(ispin)%matrix) 522 1.0_dp, mo_coeff, admm_env%work_orb_nmo(ispin)%matrix, 0.0_dp, & 539 admm_env%work_orb_nmo(ispin)%matrix) 541 1.0_dp, admm_env%A, admm_env%work_orb_nmo(ispin)%matrix, 0.0_dp, & 1090 admm_env%work_orb_nmo(ispin)%matrix) 1093 1.0_dp, mo_coeff, admm_env%work_orb_nmo(ispin)%matrix, 0.0_dp, & 1115 admm_env%work_orb_nmo(ispin)%matrix) 1802 admm_env%work_orb_nmo(ispin)%matrix) [all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	admm_types.F	`123 work_orb_nmo => Null(), & component 246 ALLOCATE (admm_env%work_orb_nmo(nspins)) 285 … CALL cp_fm_create(admm_env%work_orb_nmo(ispin)%matrix, fm_struct_orb_nmo, name="work_orb_nmo") 405 CALL cp_fm_release(admm_env%work_orb_nmo(ispin)%matrix) 432 DEALLOCATE (admm_env%work_orb_nmo)`
H A D	admm_methods.F	687 admm_env%work_orb_nmo(ispin)%matrix) 689 1.0_dp, mo_coeff, admm_env%work_orb_nmo(ispin)%matrix, 0.0_dp, & 749 admm_env%work_orb_nmo(ispin)%matrix) 751 1.0_dp, mo_coeff, admm_env%work_orb_nmo(ispin)%matrix, 0.0_dp, & 768 admm_env%work_orb_nmo(ispin)%matrix) 770 1.0_dp, admm_env%A, admm_env%work_orb_nmo(ispin)%matrix, 0.0_dp, & 1319 admm_env%work_orb_nmo(ispin)%matrix) 1322 1.0_dp, mo_coeff, admm_env%work_orb_nmo(ispin)%matrix, 0.0_dp, & 1344 admm_env%work_orb_nmo(ispin)%matrix) 2095 admm_env%work_orb_nmo(ispin)%matrix) [all …]