/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mm/ |
H A D | mm_vdw_coords.F | 370 integer i_ctmp, h_ctmp 386 if(.not.ma_push_get(mt_dbl,3*nat,'ctmp',h_ctmp,i_ctmp)) 408 if(.not.ma_pop_stack(h_ctmp)) 448 integer i_ctmp, h_ctmp 464 if(.not.ma_push_get(mt_dbl,3*nat,'ctmp',h_ctmp,i_ctmp)) 486 if(.not.ma_pop_stack(h_ctmp))
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H A D | mm_bond_coords.F | 348 integer i_ctmp, h_ctmp local 364 if(.not.ma_push_get(mt_dbl,3*nat,'ctmp',h_ctmp,i_ctmp)) 387 if(.not.ma_pop_stack(h_ctmp))
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H A D | mm_geom.F | 383 integer i_ctmp,h_ctmp local 406 if(.not.ma_push_get(mt_dbl,3*ncent,'ctmp',h_ctmp,i_ctmp)) 421 if(.not.ma_pop_stack(h_ctmp))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/mm/ |
H A D | mm_vdw_coords.F | 370 integer i_ctmp, h_ctmp 386 if(.not.ma_push_get(mt_dbl,3*nat,'ctmp',h_ctmp,i_ctmp)) 408 if(.not.ma_pop_stack(h_ctmp)) 448 integer i_ctmp, h_ctmp 464 if(.not.ma_push_get(mt_dbl,3*nat,'ctmp',h_ctmp,i_ctmp)) 486 if(.not.ma_pop_stack(h_ctmp))
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H A D | mm_bond_coords.F | 348 integer i_ctmp, h_ctmp local 364 if(.not.ma_push_get(mt_dbl,3*nat,'ctmp',h_ctmp,i_ctmp)) 387 if(.not.ma_pop_stack(h_ctmp))
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H A D | mm_geom.F | 383 integer i_ctmp,h_ctmp local 406 if(.not.ma_push_get(mt_dbl,3*ncent,'ctmp',h_ctmp,i_ctmp)) 421 if(.not.ma_pop_stack(h_ctmp))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/optim/neb/ |
H A D | neb_input.F | 405 integer i_ctmp,h_ctmp local 479 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 553 if(.not.ma_pop_stack(h_ctmp))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/optim/neb/ |
H A D | neb_input.F | 385 integer i_ctmp,h_ctmp 459 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 533 if(.not.ma_pop_stack(h_ctmp))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmmm/ |
H A D | qmmm_utils.F | 494 integer i_ctmp,h_ctmp local 541 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 607 if(.not.ma_pop_stack(h_ctmp)) 646 integer i_ctmp,h_ctmp local
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H A D | qmmm_geom.F | 884 integer i_ctmp,h_ctmp local 903 if(.not.ma_push_get(mt_dbl,3*ncent,'ctmp',h_ctmp,i_ctmp)) 923 if(.not.ma_pop_stack(h_ctmp))
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H A D | mm_interface.F | 3647 integer i_ctmp,h_ctmp 3693 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 3741 if(.not.ma_pop_stack(h_ctmp)) 3776 integer i_ctmp,h_ctmp 3822 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 3868 if(.not.ma_pop_stack(h_ctmp)) 3902 integer i_ctmp,h_ctmp 3979 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 4035 if(.not.ma_pop_stack(h_ctmp))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/qmmm/ |
H A D | qmmm_utils.F | 494 integer i_ctmp,h_ctmp 541 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 607 if(.not.ma_pop_stack(h_ctmp)) 646 integer i_ctmp,h_ctmp
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H A D | qmmm_geom.F | 884 integer i_ctmp,h_ctmp 903 if(.not.ma_push_get(mt_dbl,3*ncent,'ctmp',h_ctmp,i_ctmp)) 923 if(.not.ma_pop_stack(h_ctmp))
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H A D | mm_interface.F | 3647 integer i_ctmp,h_ctmp 3693 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 3741 if(.not.ma_pop_stack(h_ctmp)) 3776 integer i_ctmp,h_ctmp 3822 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 3868 if(.not.ma_pop_stack(h_ctmp)) 3902 integer i_ctmp,h_ctmp 3979 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 4035 if(.not.ma_pop_stack(h_ctmp))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/geom/ |
H A D | geom.F | 8067 integer i_ctmp,h_ctmp 8132 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 8206 if(.not.ma_pop_stack(h_ctmp)) 8247 integer i_ctmp,h_ctmp 8324 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 8398 if(.not.ma_pop_stack(h_ctmp))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/geom/ |
H A D | geom.F | 8073 integer i_ctmp,h_ctmp 8138 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 8212 if(.not.ma_pop_stack(h_ctmp)) 8253 integer i_ctmp,h_ctmp 8330 if(.not.ma_push_get(mt_dbl,3*ns,'ctmp',h_ctmp,i_ctmp)) 8404 if(.not.ma_pop_stack(h_ctmp))
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