Searched refs:bias_bond (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
H A D | mc_move_control.F | 67 ALLOCATE (moves%bias_bond) 82 moves%bias_bond%attempts = 0 83 moves%bias_bond%successes = 0 84 moves%bias_bond%qsuccesses = 0 185 DEALLOCATE (moves%bias_bond) 234 moves%bias_bond%qsuccesses = 0 284 moves%bias_bond%successes = moves%bias_bond%successes & 357 moves%bias_bond%successes, moves%bias_bond%attempts 470 IF (move_updates%bias_bond%attempts .GT. 0) THEN 488 move_updates%bias_bond%attempts = 0 [all …]
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H A D | mc_moves.F | 247 moves%bias_bond%attempts = moves%bias_bond%attempts + 1 248 move_updates%bias_bond%attempts = move_updates%bias_bond%attempts + 1 253 moves%bias_bond%qsuccesses = moves%bias_bond%qsuccesses + 1 254 move_updates%bias_bond%qsuccesses = & 255 move_updates%bias_bond%qsuccesses + 1 364 moves%bias_bond%successes = moves%bias_bond%successes + 1 365 move_updates%bias_bond%successes = & 366 move_updates%bias_bond%successes + 1
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H A D | mc_misc.F | 332 CALL final_move_write(moves%bias_bond, string1, string2, iw, &
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H A D | mc_types.F | 200 TYPE(accattempt), POINTER :: bias_bond component
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
H A D | mc_move_control.F | 67 ALLOCATE (moves%bias_bond) 82 moves%bias_bond%attempts = 0 83 moves%bias_bond%successes = 0 84 moves%bias_bond%qsuccesses = 0 185 DEALLOCATE (moves%bias_bond) 234 moves%bias_bond%qsuccesses = 0 284 moves%bias_bond%successes = moves%bias_bond%successes & 357 moves%bias_bond%successes, moves%bias_bond%attempts 470 IF (move_updates%bias_bond%attempts .GT. 0) THEN 488 move_updates%bias_bond%attempts = 0 [all …]
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H A D | mc_moves.F | 248 moves%bias_bond%attempts = moves%bias_bond%attempts + 1 249 move_updates%bias_bond%attempts = move_updates%bias_bond%attempts + 1 254 moves%bias_bond%qsuccesses = moves%bias_bond%qsuccesses + 1 255 move_updates%bias_bond%qsuccesses = & 256 move_updates%bias_bond%qsuccesses + 1 365 moves%bias_bond%successes = moves%bias_bond%successes + 1 366 move_updates%bias_bond%successes = & 367 move_updates%bias_bond%successes + 1
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H A D | mc_misc.F | 332 CALL final_move_write(moves%bias_bond, string1, string2, iw, &
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H A D | mc_types.F | 200 TYPE(accattempt), POINTER :: bias_bond component
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