Searched defs:fix_atom_control (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | constraint_fxd.F | 63 SUBROUTINE fix_atom_control(force_env, w) subroutine
67 CHARACTER(len=*), PARAMETER :: routineN = 'fix_atom_control', & argument
68 routineP = moduleN//':'//routineN
70 INTEGER :: handle, i, ifixd, ii, ikind, iparticle, iparticle_local, my_atm_fixed, natom, &
71 ncore, nfixed_atoms, nkind, nparticle, nparticle_local, nshell, shell_index
73 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: force
74 TYPE(atomic_kind_list_type), POINTER :: atomic_kinds
75 TYPE(cp_subsys_type), POINTER :: subsys
77 TYPE(fixd_constraint_type), DIMENSION(:), POINTER :: fixd_list
82 TYPE(particle_list_type), POINTER :: core_particles, particles, &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | constraint_fxd.F | 63 SUBROUTINE fix_atom_control(force_env, w) subroutine
67 CHARACTER(len=*), PARAMETER :: routineN = 'fix_atom_control', & argument
68 routineP = moduleN//':'//routineN
70 INTEGER :: handle, i, ifixd, ii, ikind, iparticle, iparticle_local, my_atm_fixed, natom, &
71 ncore, nfixed_atoms, nkind, nparticle, nparticle_local, nshell, shell_index
73 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: force
74 TYPE(atomic_kind_list_type), POINTER :: atomic_kinds
75 TYPE(cp_subsys_type), POINTER :: subsys
77 TYPE(fixd_constraint_type), DIMENSION(:), POINTER :: fixd_list
82 TYPE(particle_list_type), POINTER :: core_particles, particles, &
[all …]
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