Searched defs:qs_basis_reinit_energy (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_basis_gradient.F | 276 SUBROUTINE qs_basis_reinit_energy(qs_env) subroutine
279 CHARACTER(len=*), PARAMETER :: routineN = 'qs_basis_reinit_energy', & argument
280 routineP = moduleN//':'//routineN
282 INTEGER :: handle, ispin, nmo
283 TYPE(cp_fm_type), POINTER :: mo_coeff
284 TYPE(cp_para_env_type), POINTER :: para_env
285 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_s_kp, rho_ao_kp
287 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
288 TYPE(qs_rho_type), POINTER :: rho
289 TYPE(qs_scf_env_type), POINTER :: scf_env
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_basis_gradient.F | 276 SUBROUTINE qs_basis_reinit_energy(qs_env) subroutine
279 CHARACTER(len=*), PARAMETER :: routineN = 'qs_basis_reinit_energy', & argument
280 routineP = moduleN//':'//routineN
282 INTEGER :: handle, ispin, nmo
283 TYPE(cp_fm_type), POINTER :: mo_coeff
284 TYPE(cp_para_env_type), POINTER :: para_env
285 TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_s_kp, rho_ao_kp
287 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
288 TYPE(qs_rho_type), POINTER :: rho
289 TYPE(qs_scf_env_type), POINTER :: scf_env
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