Searched refs:f_occ (Results 1 – 5 of 5) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/gww/ |
H A D | basic_structures.f90 | 197 REAL(kind=DP), DIMENSION(:), POINTER :: f_occ!occupations of KS states component 430 if(associated(po%f_occ)) deallocate(po%f_occ) 431 nullify(po%f_occ) 470 nullify(po%f_occ)
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H A D | do_polarization_lanczos.f90 | 495 occ(il)=po%f_occ(iv+il-1) 954 … fact=-(2.d0/dble(nspin))*(po%f_occ(jv)-po%f_occ(iv))/dble(uu%ene(iv,ispin)-uu%ene(jv,ispin)+af)
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H A D | read_data_pw.f90 | 1504 allocate(po%f_occ(po%nums_occ)) 1505 if(ionode) read(iun) po%f_occ(1:po%nums_occ) 1506 call mp_bcast(po%f_occ, ionode_id, world_comm)
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/scf/ |
H A D | addons.py | 113 f_occ = fermi_smearing_occ 115 f_occ = gaussian_smearing_occ 124 mo_occ_kpts = f_occ(m, mo_es, sigma) 130 mo_occs = f = f_occ(mu, mo_es, sigma) 133 mo_occs = f = f_occ(mu, mo_es, sigma)
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/dports/games/crafty/crafty-25.2_1/ |
H A D | tbprobe.c | 380 uint64_t f_occ = occ & (file2board(f) & ~BOARD_FILE_EDGE); in rook_attacks() local 382 size_t f_idx = file2index(f_occ, f); in rook_attacks()
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