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Searched refs:bias_bond (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/
H A Dmc_move_control.F67 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 …]
H A Dmc_moves.F247 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
H A Dmc_misc.F332 CALL final_move_write(moves%bias_bond, string1, string2, iw, &
H A Dmc_types.F200 TYPE(accattempt), POINTER :: bias_bond component
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/
H A Dmc_move_control.F67 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 …]
H A Dmc_moves.F248 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
H A Dmc_misc.F332 CALL final_move_write(moves%bias_bond, string1, string2, iw, &
H A Dmc_types.F200 TYPE(accattempt), POINTER :: bias_bond component