Searched defs:qs_scf_post_local_stress (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 | 2746 SUBROUTINE qs_scf_post_local_stress(input, logger, qs_env) subroutine
2751 CHARACTER(len=*), PARAMETER :: routineN = 'qs_scf_post_local_stress', & argument
2752 routineP = moduleN//':'//routineN
2754 CHARACTER(LEN=default_path_length) :: filename, my_pos_cube
2755 INTEGER :: handle, io_unit, natom, unit_nr
2756 LOGICAL :: append_cube, gapw, gapw_xc, mpi_io
2757 REAL(KIND=dp) :: beta
2759 TYPE(particle_list_type), POINTER :: particles
2760 TYPE(pw_env_type), POINTER :: pw_env
2761 TYPE(pw_p_type) :: stress
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf_post_gpw.F | 2802 SUBROUTINE qs_scf_post_local_stress(input, logger, qs_env) subroutine
2807 CHARACTER(len=*), PARAMETER :: routineN = 'qs_scf_post_local_stress', & argument
2808 routineP = moduleN//':'//routineN
2810 CHARACTER(LEN=default_path_length) :: filename, my_pos_cube
2811 INTEGER :: handle, io_unit, natom, unit_nr
2812 LOGICAL :: append_cube, gapw, gapw_xc, mpi_io
2813 REAL(KIND=dp) :: beta
2815 TYPE(particle_list_type), POINTER :: particles
2816 TYPE(pw_env_type), POINTER :: pw_env
2817 TYPE(pw_p_type) :: stress
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