Searched defs:cp_sirius_update_context (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | sirius_interface.F | 434 SUBROUTINE cp_sirius_update_context(pwdft_env) subroutine
435 TYPE(pwdft_environment_type), POINTER :: pwdft_env
437 INTEGER :: iatom, natom
438 REAL(KIND=C_DOUBLE), DIMENSION(3) :: a1, a2, a3, v2
439 REAL(KIND=dp), DIMENSION(3) :: vr, vs
441 sctx = C_NULL_PTR
442 TYPE(cell_type), POINTER :: my_cell
443 TYPE(particle_type), DIMENSION(:), POINTER :: particle_set
444 TYPE(qs_subsys_type), POINTER :: qs_subsys
680 SUBROUTINE cp_sirius_update_context(pwdft_env) subroutine
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | sirius_interface.F | 441 SUBROUTINE cp_sirius_update_context(pwdft_env) subroutine
442 TYPE(pwdft_environment_type), POINTER :: pwdft_env
444 INTEGER :: iatom, natom
445 REAL(KIND=C_DOUBLE), DIMENSION(3) :: a1, a2, a3, v2
446 REAL(KIND=dp), DIMENSION(3) :: vr, vs
448 sctx = C_NULL_PTR
449 TYPE(cell_type), POINTER :: my_cell
450 TYPE(particle_type), DIMENSION(:), POINTER :: particle_set
451 TYPE(qs_subsys_type), POINTER :: qs_subsys
832 SUBROUTINE cp_sirius_update_context(pwdft_env) subroutine
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