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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_rho0_types.F505 SUBROUTINE initialize_mpole_rho(mp_rho, nchan_s, nchan_c, zeff) argument
508 INTEGER, INTENT(IN) :: nchan_s, nchan_c local
514 CALL reallocate(mp_rho%Qlm_h, 1, nchan_s)
515 CALL reallocate(mp_rho%Qlm_s, 1, nchan_s)
516 CALL reallocate(mp_rho%Qlm_tot, 1, nchan_s)
H A Dqs_rho0_methods.F362 nat, natom, nchan_c, nchan_s, nkind, nr, nset, nsotot, output_unit local
460 nchan_s = nsoset(rho0_mpole%lmax0_kind(ikind))
467 CALL initialize_mpole_rho(rho0_mpole%mp_rho(iatom), nchan_s, nchan_c, zeff)
470 CALL allocate_rho0_atom_rad(rho0_atom_set(iatom), nr, nchan_s)
476 orb_basis, harmonics, nchan_s, nsotot)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_rho0_types.F506 SUBROUTINE initialize_mpole_rho(mp_rho, nchan_s, nchan_c, zeff, tddft) argument
509 INTEGER, INTENT(IN) :: nchan_s, nchan_c local
521 CALL reallocate(mp_rho%Qlm_h, 1, nchan_s)
522 CALL reallocate(mp_rho%Qlm_s, 1, nchan_s)
523 CALL reallocate(mp_rho%Qlm_tot, 1, nchan_s)
H A Dqs_rho0_methods.F368 nat, natom, nchan_c, nchan_s, nkind, nr, nset, nsotot, output_unit local
469 nchan_s = nsoset(rho0_mpole%lmax0_kind(ikind))
476 CALL initialize_mpole_rho(rho0_mpole%mp_rho(iatom), nchan_s, nchan_c, zeff, my_tddft)
479 CALL allocate_rho0_atom_rad(rho0_atom_set(iatom), nr, nchan_s)
485 orb_basis, harmonics, nchan_s, nsotot)