Searched defs:build_full_dm (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | optimize_dmfet_potential.F | 210 SUBROUTINE build_full_dm(qs_env, dm, open_shell, open_shell_embed, dm_beta) subroutine
216 CHARACTER(LEN=*), PARAMETER :: routineN = 'build_full_dm', routineP = moduleN//':'//routineN argument
218 INTEGER :: handle, homo, nao
219 REAL(KIND=dp) :: coeff
220 TYPE(cp_fm_type), POINTER :: mo_coeff
221 TYPE(cp_para_env_type), POINTER :: para_env
222 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | optimize_dmfet_potential.F | 210 SUBROUTINE build_full_dm(qs_env, dm, open_shell, open_shell_embed, dm_beta) subroutine
216 CHARACTER(LEN=*), PARAMETER :: routineN = 'build_full_dm', routineP = moduleN//':'//routineN argument
218 INTEGER :: handle, homo, nao
219 REAL(KIND=dp) :: coeff
220 TYPE(cp_fm_type), POINTER :: mo_coeff
221 TYPE(cp_para_env_type), POINTER :: para_env
222 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
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