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Searched refs:at_tag (Results 1 – 25 of 33) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/
H A Dhnd_eldmap.F21 character*16 element, at_tag
66 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
97 if (.not. geom_cent_tag(geom,iat,at_tag)) call
99 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) call
119 if(.not. geom_cent_tag(geom,iat,at_tag)) call
121 if(.not.geom_tag_to_element(at_tag,symbol,element,atn)) call
H A Dhnd_spind.F23 character*16 element, at_tag
93 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
122 if (.not. geom_cent_tag(geom,iat,at_tag)) call
124 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) call
160 if (.not. geom_cent_tag(geom,iat,at_tag)) call
162 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) call
H A Dhnd_elpiso.F24 character*16 at_tag ! Geom centre tag local
97 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(i_xyzpt+3*(iat-1)),
238 character*16 at_tag ! Geom centre tag
268 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(i_xyzpt+3*(iat-1)),
H A Dhnd_elfmap.F23 character*16 element, at_tag local
112 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
259 if (.not. geom_cent_tag(geom,iat,at_tag)) call
262 & geom_tag_to_element(at_tag,symbol,element,atn)) then
H A Dhnd_efgmap.F25 character*16 element, at_tag
80 status=geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
221 if (.not. geom_cent_tag(geom,iat,at_tag)) call
225 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
H A Dhnd_elpmap.F25 character*16 element, at_tag
120 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
306 if (.not. geom_cent_tag(geom,iat,at_tag)) call
310 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
H A Dhnd_eldmap_grid.F24 character*16 element, at_tag
89 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
H A Dhnd_mtpole.F43 character*16 at_tag local
91 if (.not.geom_cent_get(geom,iat,at_tag,
574 character*16 at_tag local
622 if (.not.geom_cent_get(geom,iat,at_tag,
785 character*16 at_tag local
824 if (.not.geom_cent_get(geom,iat,at_tag,
H A Dhnd_efgmap_z4.F32 character*16 element, at_tag
119 status=geom_cent_get(geom,iat,at_tag,
216 if (.not. geom_cent_tag(geom,iat,at_tag)) call
218 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
441 if (.not. geom_cent_tag(geom,iat1,at_tag)) call
445 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/
H A Dhnd_eldmap.F21 character*16 element, at_tag
66 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
97 if (.not. geom_cent_tag(geom,iat,at_tag)) call
99 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) call
119 if(.not. geom_cent_tag(geom,iat,at_tag)) call
121 if(.not.geom_tag_to_element(at_tag,symbol,element,atn)) call
H A Dhnd_spind.F23 character*16 element, at_tag
93 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
122 if (.not. geom_cent_tag(geom,iat,at_tag)) call
124 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) call
160 if (.not. geom_cent_tag(geom,iat,at_tag)) call
162 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) call
H A Dhnd_elpiso.F24 character*16 at_tag ! Geom centre tag local
97 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(i_xyzpt+3*(iat-1)),
238 character*16 at_tag ! Geom centre tag
268 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(i_xyzpt+3*(iat-1)),
H A Dhnd_elfmap.F23 character*16 element, at_tag
112 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
259 if (.not. geom_cent_tag(geom,iat,at_tag)) call
262 & geom_tag_to_element(at_tag,symbol,element,atn)) then
H A Dhnd_efgmap.F25 character*16 element, at_tag
80 status=geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
221 if (.not. geom_cent_tag(geom,iat,at_tag)) call
225 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
H A Dhnd_elpmap.F25 character*16 element, at_tag
120 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
306 if (.not. geom_cent_tag(geom,iat,at_tag)) call
310 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
H A Dhnd_eldmap_grid.F24 character*16 element, at_tag
89 if(.not.geom_cent_get(geom,iat,at_tag,dbl_mb(k_xyzpt+3*(iat-1)),
H A Dhnd_mtpole.F43 character*16 at_tag
91 if (.not.geom_cent_get(geom,iat,at_tag,
574 character*16 at_tag
622 if (.not.geom_cent_get(geom,iat,at_tag,
785 character*16 at_tag
824 if (.not.geom_cent_get(geom,iat,at_tag,
H A Dhnd_efgmap_z4.F32 character*16 element, at_tag
119 status=geom_cent_get(geom,iat,at_tag,
216 if (.not. geom_cent_tag(geom,iat,at_tag)) call
218 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
441 if (.not. geom_cent_tag(geom,iat1,at_tag)) call
445 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/
H A Ddft_zora_rhos_so.F44 character*16 element, at_tag
123 status=geom_cent_get(geom,iat,at_tag,
414 character*16 element, at_tag
501 status=geom_cent_get(geom,iat,at_tag,
617 if (.not. geom_cent_tag(geom,iat,at_tag)) call
619 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
819 if (.not. geom_cent_tag(geom,iat1,at_tag)) call
823 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
H A Ddft_zora_Hyperfine.F204 character*16 at_tag
327 status=geom_cent_get(geom,iat,at_tag,
544 character*16 at_tag
624 status=geom_cent_get(geom,iat,at_tag,
H A Ddft_zora_EPR-NMR_tools.F29 character*16 at_tag
53 status=geom_cent_get(geom,ictr,at_tag,
91 character*16 at_tag
122 status=geom_cent_get(geom,ictr,at_tag,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/
H A Ddft_zora_rhos_so.F44 character*16 element, at_tag
123 status=geom_cent_get(geom,iat,at_tag,
414 character*16 element, at_tag
501 status=geom_cent_get(geom,iat,at_tag,
617 if (.not. geom_cent_tag(geom,iat,at_tag)) call
619 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
819 if (.not. geom_cent_tag(geom,iat1,at_tag)) call
823 if (.not. geom_tag_to_element(at_tag,symbol,element,atn)) then
H A Ddft_zora_Hyperfine.F204 character*16 at_tag
327 status=geom_cent_get(geom,iat,at_tag,
544 character*16 at_tag
624 status=geom_cent_get(geom,iat,at_tag,
H A Ddft_zora_EPR-NMR_tools.F29 character*16 at_tag
53 status=geom_cent_get(geom,ictr,at_tag,
91 character*16 at_tag
122 status=geom_cent_get(geom,ictr,at_tag,
/dports/graphics/proj/proj-7.2.1/src/apps/
H A Dgie.cpp144 static const char *at_tag (ffio *G);
1363 static const char *at_tag (ffio *G) { in at_tag() function
1389 if (at_tag (G)) in at_end_delimiter()
1455 c = at_tag (G); in skip_to_next_tag()
1461 c = at_tag (G); in skip_to_next_tag()
1484 const char *tag = at_tag (G); in append_args()
1528 G->tag = at_tag (G); in get_inp()
1565 G->tag = at_tag (G); in get_inp()

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