Searched refs:pmswap_mol (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
H A D | mc_run.F | 366 pmavbmc_mol, pmrot_mol, pmswap_mol, & local 387 pmrot_mol=pmrot_mol, pmswap_mol=pmswap_mol, avbmc_atom=avbmc_atom, & 396 pmrot_mol=pmrot_mol, pmswap_mol=pmswap_mol, avbmc_atom=avbmc_atom, &
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H A D | mc_types.F | 116 REAL(dp), DIMENSION(:), POINTER :: pmtraion_mol, pmtrans_mol, pmrot_mol, pmswap_mol, & component 421 REAL(dp), DIMENSION(:), OPTIONAL, POINTER :: pmswap_mol local 519 IF (PRESENT(pmswap_mol)) pmswap_mol => mc_par%pmswap_mol 800 IF (PRESENT(pmswap_mol)) THEN 801 DO iparm = 1, SIZE(pmswap_mol) 802 mc_par%pmswap_mol(iparm) = pmswap_mol(iparm) 858 ALLOCATE (mc_par%pmswap_mol(1:nmol_types)) 897 DEALLOCATE (mc_par%pmswap_mol) 1521 mc_par%pmswap_mol(imol) = temp_r_array(imol) 1582 mc_par%pmswap_mol [all …]
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H A D | mc_ge_moves.F | 456 REAL(dp), DIMENSION(:), POINTER :: eta_insert, eta_remove, pmswap_mol local 483 NULLIFY (oldsys, atom_names, pmswap_mol, insert_coords, remove_coords) 491 mc_molecule_info=mc_molecule_info, pmswap_mol=pmswap_mol) 536 IF (rand .LT. pmswap_mol(itype)) THEN
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
H A D | mc_run.F | 371 pmavbmc_mol, pmrot_mol, pmswap_mol, & local 392 pmrot_mol=pmrot_mol, pmswap_mol=pmswap_mol, avbmc_atom=avbmc_atom, & 401 pmrot_mol=pmrot_mol, pmswap_mol=pmswap_mol, avbmc_atom=avbmc_atom, &
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H A D | mc_types.F | 116 REAL(dp), DIMENSION(:), POINTER :: pmtraion_mol, pmtrans_mol, pmrot_mol, pmswap_mol, & component 421 REAL(dp), DIMENSION(:), OPTIONAL, POINTER :: pmswap_mol local 519 IF (PRESENT(pmswap_mol)) pmswap_mol => mc_par%pmswap_mol 800 IF (PRESENT(pmswap_mol)) THEN 801 DO iparm = 1, SIZE(pmswap_mol) 802 mc_par%pmswap_mol(iparm) = pmswap_mol(iparm) 858 ALLOCATE (mc_par%pmswap_mol(1:nmol_types)) 897 DEALLOCATE (mc_par%pmswap_mol) 1521 mc_par%pmswap_mol(imol) = temp_r_array(imol) 1582 mc_par%pmswap_mol [all …]
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H A D | mc_ge_moves.F | 457 REAL(dp), DIMENSION(:), POINTER :: eta_insert, eta_remove, pmswap_mol local 484 NULLIFY (oldsys, atom_names, pmswap_mol, insert_coords, remove_coords) 492 mc_molecule_info=mc_molecule_info, pmswap_mol=pmswap_mol) 537 IF (rand .LT. pmswap_mol(itype)) THEN
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