/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | input_cp2k_mm.F | 75 routineP = moduleN//':'//routineN local 117 routineP = moduleN//':'//routineN local 217 routineP = moduleN//':'//routineN local 377 routineP = moduleN//':'//routineN local 456 routineP = moduleN//':'//routineN local 523 routineP = moduleN//':'//routineN local 581 routineP = moduleN//':'//routineN local 641 routineP = moduleN//':'//routineN local 771 routineP = moduleN//':'//routineN local 861 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_dft.F | 169 routineP = moduleN//':'//routineN local 454 routineP = moduleN//':'//routineN local 501 routineP = moduleN//':'//routineN local 535 routineP = moduleN//':'//routineN local 589 routineP = moduleN//':'//routineN local 921 routineP = moduleN//':'//routineN local 2269 routineP = moduleN//':'//routineN local 2335 routineP = moduleN//':'//routineN local 2399 routineP = moduleN//':'//routineN local 2509 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_atom.F | 62 routineP = moduleN//':'//routineN local 211 routineP = moduleN//':'//routineN local 483 routineP = moduleN//':'//routineN local 503 routineP = moduleN//':'//routineN local 523 routineP = moduleN//':'//routineN local 683 routineP = moduleN//':'//routineN local 765 routineP = moduleN//':'//routineN local 817 routineP = moduleN//':'//routineN local 847 routineP = moduleN//':'//routineN local 881 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_mp2.F | 68 routineP = moduleN//':'//routineN local 332 routineP = moduleN//':'//routineN local 362 CHARACTER(len=*), PARAMETER :: routineN = 'create_ri_mp2', routineP = moduleN//':'//routineN local 415 routineP = moduleN//':'//routineN local 496 routineP = moduleN//':'//routineN local 1025 routineP = moduleN//':'//routineN local 1135 routineP = moduleN//':'//routineN local 1182 routineP = moduleN//':'//routineN local 1253 routineP = moduleN//':'//routineN local 1439 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_colvar.F | 65 routineP = moduleN//':'//routineN local 110 routineP = moduleN//':'//routineN local 143 routineP = moduleN//':'//routineN local 265 routineP = moduleN//':'//routineN local 394 routineP = moduleN//':'//routineN local 493 routineP = moduleN//':'//routineN local 592 routineP = moduleN//':'//routineN local 635 routineP = moduleN//':'//routineN local 688 routineP = moduleN//':'//routineN local 724 routineP = moduleN//':'//routineN local [all …]
|
H A D | qs_fb_trial_fns_types.F | 72 routineP = moduleN//':'//routineN local 89 routineP = moduleN//':'//routineN local 119 routineP = moduleN//':'//routineN local 136 routineP = moduleN//':'//routineN local 152 routineP = moduleN//':'//routineN local 166 routineP = moduleN//':'//routineN local 186 routineP = moduleN//':'//routineN local 213 routineP = moduleN//':'//routineN local 235 routineP = moduleN//':'//routineN local
|
H A D | input_cp2k_subsys.F | 243 routineP = moduleN//':'//routineN local 271 routineP = moduleN//':'//routineN local 359 routineP = moduleN//':'//routineN local 601 routineP = moduleN//':'//routineN local 650 routineP = moduleN//':'//routineN local 712 routineP = moduleN//':'//routineN local 751 routineP = moduleN//':'//routineN local 782 routineP = moduleN//':'//routineN local 813 routineP = moduleN//':'//routineN local 838 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_poisson.F | 105 routineP = moduleN//':'//routineN local 172 routineP = moduleN//':'//routineN local 239 routineP = moduleN//':'//routineN local 281 routineP = moduleN//':'//routineN local 464 routineP = moduleN//':'//routineN local 542 routineP = moduleN//':'//routineN local 580 routineP = moduleN//':'//routineN local 662 routineP = moduleN//':'//routineN local 749 routineP = moduleN//':'//routineN local 808 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_constraints.F | 62 routineP = moduleN//':'//routineN local 162 routineP = moduleN//':'//routineN local 193 routineP = moduleN//':'//routineN local 222 routineP = moduleN//':'//routineN local 255 routineP = moduleN//':'//routineN local 344 routineP = moduleN//':'//routineN local 447 routineP = moduleN//':'//routineN local 521 routineP = moduleN//':'//routineN local 590 routineP = moduleN//':'//routineN local 664 routineP = moduleN//':'//routineN local
|
H A D | input_cp2k_qmmm.F | 92 routineP = moduleN//':'//routineN local 284 routineP = moduleN//':'//routineN local 324 routineP = moduleN//':'//routineN local 561 routineP = moduleN//':'//routineN local 595 routineP = moduleN//':'//routineN local 647 routineP = moduleN//':'//routineN local 742 routineP = moduleN//':'//routineN local 806 routineP = moduleN//':'//routineN local 886 routineP = moduleN//':'//routineN local 924 routineP = moduleN//':'//routineN local [all …]
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | input_cp2k_mm.F | 75 routineP = moduleN//':'//routineN local 117 routineP = moduleN//':'//routineN local 217 routineP = moduleN//':'//routineN local 377 routineP = moduleN//':'//routineN local 456 routineP = moduleN//':'//routineN local 523 routineP = moduleN//':'//routineN local 581 routineP = moduleN//':'//routineN local 641 routineP = moduleN//':'//routineN local 771 routineP = moduleN//':'//routineN local 861 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_dft.F | 172 routineP = moduleN//':'//routineN local 508 routineP = moduleN//':'//routineN local 555 routineP = moduleN//':'//routineN local 589 routineP = moduleN//':'//routineN local 643 routineP = moduleN//':'//routineN local 975 routineP = moduleN//':'//routineN local 2444 routineP = moduleN//':'//routineN local 2510 routineP = moduleN//':'//routineN local 2574 routineP = moduleN//':'//routineN local 2609 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_atom.F | 62 routineP = moduleN//':'//routineN local 211 routineP = moduleN//':'//routineN local 483 routineP = moduleN//':'//routineN local 503 routineP = moduleN//':'//routineN local 523 routineP = moduleN//':'//routineN local 683 routineP = moduleN//':'//routineN local 765 routineP = moduleN//':'//routineN local 817 routineP = moduleN//':'//routineN local 847 routineP = moduleN//':'//routineN local 881 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_mp2.F | 66 routineP = moduleN//':'//routineN local 164 routineP = moduleN//':'//routineN local 289 routineP = moduleN//':'//routineN local 375 routineP = moduleN//':'//routineN local 837 routineP = moduleN//':'//routineN local 868 routineP = moduleN//':'//routineN local 978 routineP = moduleN//':'//routineN local 1025 routineP = moduleN//':'//routineN local 1064 routineP = moduleN//':'//routineN local 1332 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_colvar.F | 65 routineP = moduleN//':'//routineN local 110 routineP = moduleN//':'//routineN local 143 routineP = moduleN//':'//routineN local 265 routineP = moduleN//':'//routineN local 394 routineP = moduleN//':'//routineN local 493 routineP = moduleN//':'//routineN local 592 routineP = moduleN//':'//routineN local 635 routineP = moduleN//':'//routineN local 688 routineP = moduleN//':'//routineN local 724 routineP = moduleN//':'//routineN local [all …]
|
H A D | qs_fb_trial_fns_types.F | 72 routineP = moduleN//':'//routineN local 89 routineP = moduleN//':'//routineN local 119 routineP = moduleN//':'//routineN local 136 routineP = moduleN//':'//routineN local 152 routineP = moduleN//':'//routineN local 166 routineP = moduleN//':'//routineN local 186 routineP = moduleN//':'//routineN local 213 routineP = moduleN//':'//routineN local 235 routineP = moduleN//':'//routineN local
|
H A D | input_cp2k_subsys.F | 243 routineP = moduleN//':'//routineN local 271 routineP = moduleN//':'//routineN local 359 routineP = moduleN//':'//routineN local 601 routineP = moduleN//':'//routineN local 650 routineP = moduleN//':'//routineN local 712 routineP = moduleN//':'//routineN local 751 routineP = moduleN//':'//routineN local 782 routineP = moduleN//':'//routineN local 813 routineP = moduleN//':'//routineN local 838 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_poisson.F | 105 routineP = moduleN//':'//routineN local 172 routineP = moduleN//':'//routineN local 239 routineP = moduleN//':'//routineN local 281 routineP = moduleN//':'//routineN local 464 routineP = moduleN//':'//routineN local 542 routineP = moduleN//':'//routineN local 580 routineP = moduleN//':'//routineN local 662 routineP = moduleN//':'//routineN local 749 routineP = moduleN//':'//routineN local 808 routineP = moduleN//':'//routineN local [all …]
|
H A D | input_cp2k_constraints.F | 62 routineP = moduleN//':'//routineN local 162 routineP = moduleN//':'//routineN local 193 routineP = moduleN//':'//routineN local 222 routineP = moduleN//':'//routineN local 255 routineP = moduleN//':'//routineN local 344 routineP = moduleN//':'//routineN local 447 routineP = moduleN//':'//routineN local 521 routineP = moduleN//':'//routineN local 590 routineP = moduleN//':'//routineN local 664 routineP = moduleN//':'//routineN local
|
H A D | input_cp2k_qmmm.F | 92 routineP = moduleN//':'//routineN local 284 routineP = moduleN//':'//routineN local 324 routineP = moduleN//':'//routineN local 561 routineP = moduleN//':'//routineN local 595 routineP = moduleN//':'//routineN local 647 routineP = moduleN//':'//routineN local 742 routineP = moduleN//':'//routineN local 806 routineP = moduleN//':'//routineN local 886 routineP = moduleN//':'//routineN local 924 routineP = moduleN//':'//routineN local [all …]
|
H A D | pair_potential_types.F | 417 routineP = moduleN//':'//routineN local 459 routineP = moduleN//':'//routineN local 505 routineP = moduleN//':'//routineN local 561 routineP = moduleN//':'//routineN local 685 routineP = moduleN//':'//routineN local 723 routineP = moduleN//':'//routineN local 756 routineP = moduleN//':'//routineN local 788 routineP = moduleN//':'//routineN local 829 routineP = moduleN//':'//routineN local 858 routineP = moduleN//':'//routineN local [all …]
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | input_cp2k_md.F | 67 routineP = moduleN//':'//routineN local 327 routineP = moduleN//':'//routineN local 378 routineP = moduleN//':'//routineN local 473 routineP = moduleN//':'//routineN local 508 routineP = moduleN//':'//routineN local 626 routineP = moduleN//':'//routineN local 706 routineP = moduleN//':'//routineN local 772 routineP = moduleN//':'//routineN local 836 routineP = moduleN//':'//routineN local 909 routineP = moduleN//':'//routineN local [all …]
|
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | input_cp2k_md.F | 67 routineP = moduleN//':'//routineN local 327 routineP = moduleN//':'//routineN local 378 routineP = moduleN//':'//routineN local 473 routineP = moduleN//':'//routineN local 508 routineP = moduleN//':'//routineN local 626 routineP = moduleN//':'//routineN local 706 routineP = moduleN//':'//routineN local 772 routineP = moduleN//':'//routineN local 836 routineP = moduleN//':'//routineN local 909 routineP = moduleN//':'//routineN local [all …]
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/ |
H A D | input_cp2k.F | 78 routineP = moduleN//':'//routineN local 159 routineP = moduleN//':'//routineN local 302 routineP = moduleN//':'//routineN local 386 routineP = moduleN//':'//routineN local 424 routineP = moduleN//':'//routineN local 661 routineP = moduleN//':'//routineN local 821 routineP = moduleN//':'//routineN local 874 routineP = moduleN//':'//routineN local 951 routineP = moduleN//':'//routineN local 1039 routineP = moduleN//':'//routineN local [all …]
|
/dports/science/cp2k-data/cp2k-7.1.0/src/start/ |
H A D | input_cp2k.F | 78 routineP = moduleN//':'//routineN local 159 routineP = moduleN//':'//routineN local 308 routineP = moduleN//':'//routineN local 392 routineP = moduleN//':'//routineN local 430 routineP = moduleN//':'//routineN local 667 routineP = moduleN//':'//routineN local 827 routineP = moduleN//':'//routineN local 880 routineP = moduleN//':'//routineN local 957 routineP = moduleN//':'//routineN local 1045 routineP = moduleN//':'//routineN local [all …]
|