Searched defs:p_env_psi0_changed (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_p_env_methods.F | 360 SUBROUTINE p_env_psi0_changed(p_env, qs_env, psi0, Hrho_psi0d) subroutine
369 CHARACTER(len=*), PARAMETER :: routineN = 'p_env_psi0_changed', & argument
370 routineP = moduleN//':'//routineN
372 … INTEGER :: handle, iounit, lfomo, n_spins, nmo, spin
374 REAL(KIND=dp) :: maxocc
377 TYPE(cp_logger_type), POINTER :: logger
379 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_ks, matrix_s, rho_ao
381 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
382 TYPE(qs_energy_type), POINTER :: energy
384 TYPE(qs_rho_type), POINTER :: rho
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_p_env_methods.F | 375 SUBROUTINE p_env_psi0_changed(p_env, qs_env, psi0, Hrho_psi0d) subroutine
384 CHARACTER(len=*), PARAMETER :: routineN = 'p_env_psi0_changed', & argument
385 routineP = moduleN//':'//routineN
387 … INTEGER :: handle, iounit, lfomo, n_spins, nmo, spin
389 REAL(KIND=dp) :: maxocc
392 TYPE(cp_logger_type), POINTER :: logger
394 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_ks, matrix_s, rho_ao
396 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
397 TYPE(qs_energy_type), POINTER :: energy
399 TYPE(qs_rho_type), POINTER :: rho
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