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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drtp_admm_methods.F295 natoms, nmo, nmo_mos, nspins local
346 … CALL get_mo_set(mos(ispin)%mo_set, mo_coeff=mo_coeff, occupation_numbers=occ_num, nmo=nmo_mos)
H A Dadmm_methods.F795 nmo, nmo_mos, nspins local
807 … CALL get_mo_set(mos(ispin)%mo_set, mo_coeff=mo_coeff, occupation_numbers=occ_num, nmo=nmo_mos)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drtp_admm_methods.F287 natoms, nmo, nmo_mos, nspins local
338 … CALL get_mo_set(mos(ispin)%mo_set, mo_coeff=mo_coeff, occupation_numbers=occ_num, nmo=nmo_mos)
H A Dadmm_methods.F566 nmo, nmo_mos, nspins local
578 … CALL get_mo_set(mos(ispin)%mo_set, mo_coeff=mo_coeff, occupation_numbers=occ_num, nmo=nmo_mos)