Searched refs:molecule_number (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
| H A D | mc_coordinates.F | 127 IF (PRESENT(molecule_number)) THEN
129 nstart = molecule_number
130 nend = molecule_number
419 molecule_number = 0
423 molecule_number = imolecule
505 mol_type, molecule_number=molecule_number)
759 molecule_number = molecule_number + nchains(imol_type, box)
763 DO imolecule = 1, molecule_number - 1
797 molecule_number = molecule_number - nchains(molecule_type_old, ibox)
807 molecule_number = molecule_number + nchains(imol_type, box_number)
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| H A D | mc_moves.F | 198 molecule_number = 0
202 molecule_number = imolecule
314 molecule_number=molecule_number)
318 molecule_number=molecule_number)
490 molecule_number = 0
494 molecule_number = imolecule
560 molecule_number=molecule_number)
564 molecule_number=molecule_number)
722 molecule_number = 0
862 molecule_number=molecule_number)
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
| H A D | mc_coordinates.F | 128 IF (PRESENT(molecule_number)) THEN
130 nstart = molecule_number
131 nend = molecule_number
420 molecule_number = 0
424 molecule_number = imolecule
506 mol_type, molecule_number=molecule_number)
760 molecule_number = molecule_number + nchains(imol_type, box)
764 DO imolecule = 1, molecule_number - 1
798 molecule_number = molecule_number - nchains(molecule_type_old, ibox)
808 molecule_number = molecule_number + nchains(imol_type, box_number)
[all …]
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| H A D | mc_moves.F | 199 molecule_number = 0
203 molecule_number = imolecule
315 molecule_number=molecule_number)
319 molecule_number=molecule_number)
491 molecule_number = 0
495 molecule_number = imolecule
561 molecule_number=molecule_number)
565 molecule_number=molecule_number)
723 molecule_number = 0
863 molecule_number=molecule_number)
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