Searched defs:qs_scf_post_local_energy (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_scf_post_gpw.F | 2670 SUBROUTINE qs_scf_post_local_energy(input, logger, qs_env) subroutine
2675 CHARACTER(len=*), PARAMETER :: routineN = 'qs_scf_post_local_energy', & argument
2676 routineP = moduleN//':'//routineN
2678 CHARACTER(LEN=default_path_length) :: filename, my_pos_cube
2679 INTEGER :: handle, io_unit, natom, unit_nr
2680 LOGICAL :: append_cube, gapw, gapw_xc, mpi_io
2681 TYPE(dft_control_type), POINTER :: dft_control
2682 TYPE(particle_list_type), POINTER :: particles
2683 TYPE(pw_env_type), POINTER :: pw_env
2684 TYPE(pw_p_type) :: eden
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf_post_gpw.F | 2726 SUBROUTINE qs_scf_post_local_energy(input, logger, qs_env) subroutine
2731 CHARACTER(len=*), PARAMETER :: routineN = 'qs_scf_post_local_energy', & argument
2732 routineP = moduleN//':'//routineN
2734 CHARACTER(LEN=default_path_length) :: filename, my_pos_cube
2735 INTEGER :: handle, io_unit, natom, unit_nr
2736 LOGICAL :: append_cube, gapw, gapw_xc, mpi_io
2737 TYPE(dft_control_type), POINTER :: dft_control
2738 TYPE(particle_list_type), POINTER :: particles
2739 TYPE(pw_env_type), POINTER :: pw_env
2740 TYPE(pw_p_type) :: eden
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