Searched defs:mc_Quickstep_move (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
| H A D | mc_ge_moves.F | 122 CHARACTER(len=*), PARAMETER :: routineN = 'mc_Quickstep_move', & argument
123 routineP = moduleN//':'//routineN
125 … INTEGER :: end_mol, group, handle, ibox, iparticle, &
126 iprint, itype, jbox, nmol_types, &
127 source, start_mol
128 INTEGER, DIMENSION(:, :), POINTER :: nchains
129 INTEGER, DIMENSION(:), POINTER :: mol_type, nunits, nunits_tot
130 INTEGER, DIMENSION(1:nboxes) :: diff
131 LOGICAL :: ionode, lbias, loverlap
132 REAL(KIND=dp) :: BETA, energies, rand, w local
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
| H A D | mc_ge_moves.F | 123 CHARACTER(len=*), PARAMETER :: routineN = 'mc_Quickstep_move', & argument
124 routineP = moduleN//':'//routineN
126 … INTEGER :: end_mol, group, handle, ibox, iparticle, &
127 iprint, itype, jbox, nmol_types, &
128 source, start_mol
129 INTEGER, DIMENSION(:, :), POINTER :: nchains
130 INTEGER, DIMENSION(:), POINTER :: mol_type, nunits, nunits_tot
131 INTEGER, DIMENSION(1:nboxes) :: diff
132 LOGICAL :: ionode, lbias, loverlap
133 REAL(KIND=dp) :: BETA, energies, rand, w local
[all …]
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