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Searched refs:l_xyzpt (Results 1 – 25 of 26) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/
H A Dhnd_eldmap.F23 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_eden, k_eden
58 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
149 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_eldmap_grid.F26 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt
83 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
195 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_mtpole.F39 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt local
85 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
374 if (.not.ma_pop_stack(l_xyzpt)) call errquit
570 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt local
616 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
727 if (.not.ma_pop_stack(l_xyzpt)) call errquit
781 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt local
818 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
929 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_spind.F25 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_efgs, k_efgs
83 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
235 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_elfmap.F25 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_efld, k_efld local
106 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
306 if (.not.ma_chop_stack(l_xyzpt)) call errquit
H A Dhnd_efgmap.F27 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_efgs, k_efgs
72 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
279 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_elpmap.F27 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_epot, k_epot
114 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
389 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_efgmap_z4.F34 integer l_xyzpt , k_xyzpt,
110 & mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
555 if (.not.ma_free_heap(l_xyzpt)) call
/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/
H A Dhnd_eldmap.F23 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_eden, k_eden
58 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
149 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_eldmap_grid.F26 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt
83 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
195 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_mtpole.F39 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt
85 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
374 if (.not.ma_pop_stack(l_xyzpt)) call errquit
570 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt
616 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
727 if (.not.ma_pop_stack(l_xyzpt)) call errquit
781 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt
818 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
929 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_elfmap.F25 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_efld, k_efld
106 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
306 if (.not.ma_chop_stack(l_xyzpt)) call errquit
H A Dhnd_spind.F25 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_efgs, k_efgs
83 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
235 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_efgmap.F27 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_efgs, k_efgs
72 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
279 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_elpmap.F27 integer l_xyzpt, k_xyzpt, l_zanpt, k_zanpt, l_epot, k_epot
114 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
389 if (.not.ma_pop_stack(l_xyzpt)) call errquit
H A Dhnd_efgmap_z4.F34 integer l_xyzpt , k_xyzpt,
110 & mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
555 if (.not.ma_free_heap(l_xyzpt)) call
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/
H A Ddft_zora_rhos_so.F41 integer l_xyzpt,k_xyzpt,
74 if (.not. ma_alloc_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
205 if (.not.ma_free_heap(l_xyzpt)) call errquit
416 integer l_xyzpt , k_xyzpt,
491 & mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
873 if (.not.ma_free_heap(l_xyzpt)) call
H A Ddft_zora_Hyperfine.F200 integer l_xyzpt,k_xyzpt,
267 & 'xyz pnt',l_xyzpt,k_xyzpt))
492 if (.not.ma_free_heap(l_xyzpt)) call errquit
540 integer l_xyzpt,k_xyzpt,
566 if (.not. ma_alloc_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
749 if (.not.ma_free_heap(l_xyzpt)) call errquit
H A Ddft_zora_rhos.F32 integer l_xyzpt,k_xyzpt,
73 if (.not. ma_alloc_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
267 if (.not.ma_free_heap(l_xyzpt)) call errquit
H A Ddft_zora_NMR.F205 integer l_xyzpt,k_xyzpt,
243 if (.not. ma_alloc_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
484 if (.not.ma_free_heap(l_xyzpt)) call errquit
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/
H A Ddft_zora_rhos_so.F41 integer l_xyzpt,k_xyzpt,
74 if (.not. ma_alloc_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
205 if (.not.ma_free_heap(l_xyzpt)) call errquit
416 integer l_xyzpt , k_xyzpt,
491 & mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
873 if (.not.ma_free_heap(l_xyzpt)) call
H A Ddft_zora_Hyperfine.F200 integer l_xyzpt,k_xyzpt,
267 & 'xyz pnt',l_xyzpt,k_xyzpt))
492 if (.not.ma_free_heap(l_xyzpt)) call errquit
540 integer l_xyzpt,k_xyzpt,
566 if (.not. ma_alloc_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
749 if (.not.ma_free_heap(l_xyzpt)) call errquit
H A Ddft_zora_rhos.F32 integer l_xyzpt,k_xyzpt,
73 if (.not. ma_alloc_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
267 if (.not.ma_free_heap(l_xyzpt)) call errquit
H A Ddft_zora_NMR.F205 integer l_xyzpt,k_xyzpt,
243 if (.not. ma_alloc_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))
484 if (.not.ma_free_heap(l_xyzpt)) call errquit
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/solvation/
H A Dhnd_coschg.F525 integer l_epot, l_xyzpt, l_zanpt ! memory handles
698 if (.not. ma_push_get(mt_dbl,3*nat,'xyz pnt',l_xyzpt,k_xyzpt))

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