Searched defs:write_matrix_to_cube (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | dm_ls_scf_qs.F | 655 CHARACTER(len=*), PARAMETER :: routineN = 'write_matrix_to_cube', & argument
656 routineP = moduleN//':'//routineN
658 INTEGER :: handle
659 REAL(KIND=dp) :: tot_rho
660 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_ks
662 TYPE(particle_list_type), POINTER :: particles
663 TYPE(pw_env_type), POINTER :: pw_env
664 TYPE(pw_p_type) :: wf_g, wf_r
665 TYPE(pw_pool_p_type), DIMENSION(:), POINTER :: pw_pools
667 TYPE(qs_ks_env_type), POINTER :: ks_env
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | dm_ls_scf_qs.F | 655 CHARACTER(len=*), PARAMETER :: routineN = 'write_matrix_to_cube', & argument
656 routineP = moduleN//':'//routineN
658 INTEGER :: handle
659 REAL(KIND=dp) :: tot_rho
660 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_ks
662 TYPE(particle_list_type), POINTER :: particles
663 TYPE(pw_env_type), POINTER :: pw_env
664 TYPE(pw_p_type) :: wf_g, wf_r
665 TYPE(pw_pool_p_type), DIMENSION(:), POINTER :: pw_pools
667 TYPE(qs_ks_env_type), POINTER :: ks_env
[all …]
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