Searched refs:tag_in_lib (Results 1 – 8 of 8) sorted by relevance
/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/ |
H A D | bas_input.F | 354 character*16 tag, tag_in_lib 534 tag_in_lib = tag 539 tag_in_lib = standard 582 if (tag_in_lib .ne. ' ' .and. standard .ne. ' ') then 583 star_in_lib(star_nr_tags) = tag_in_lib 596 call bas_tag_lib(basis, osegment, tag, tag_in_lib, standard, 887 subroutine bas_tag_lib(basis, osegment, tag, tag_in_lib, argument 903 character*16 tag_in_lib !< [Input] tag to lookup in library 951 if (.not. geom_tag_to_element(tag_in_lib, symbol, element, atn)) 1169 1000 write(LuOut,*) ' bas_tag_lib: looking for ', tag_in_lib, standard,
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H A D | basis.F | 1036 character*16 tag_to_add, tag_in_lib local 1228 , int_mb(i_array+junique-1),tag_in_lib)) 1231 if (inp_compare(.true.,tag_to_add,tag_in_lib) 1233 & inp_strlen(tag_in_lib))) goto 00012 1277 tag_in_lib = star_in_lib(istar) 1279 & tag_in_lib = tag_to_add 1281 & tag_in_lib, star_bas_typ(istar), star_file(istar),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/ |
H A D | bas_input.F | 355 character*16 tag, tag_in_lib 538 tag_in_lib = tag 543 tag_in_lib = standard 591 if (tag_in_lib .ne. ' ' .and. standard .ne. ' ') then 592 star_in_lib(star_nr_tags) = tag_in_lib 605 call bas_tag_lib(basis, osegment, tag, tag_in_lib, standard, 896 subroutine bas_tag_lib(basis, osegment, tag, tag_in_lib, argument 912 character*16 tag_in_lib !< [Input] tag to lookup in library 963 if (.not. geom_tag_to_element(tag_in_lib, symbol, element, atn)) 1190 1000 write(LuOut,*) ' bas_tag_lib: looking for ', tag_in_lib, standard,
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H A D | basis.F | 1037 character*16 tag_to_add, tag_in_lib 1229 , int_mb(i_array+junique-1),tag_in_lib)) 1232 if (inp_compare(.true.,tag_to_add,tag_in_lib) 1234 & inp_strlen(tag_in_lib))) goto 00012 1278 tag_in_lib = star_in_lib(istar) 1280 & tag_in_lib = tag_to_add 1282 & tag_in_lib, star_bas_typ(istar), star_file(istar),
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/dports/science/nwchem-data/nwchem-7.0.2-release/doc/user/ |
H A D | basis.tex | 36 <string tag> library [<string tag_in_lib>] \ 152 <string tag> library [<string tag_in_lib>] \ 213 variable \verb+<tag_in_lib>+ must also be entered on this line, to
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H A D | ecp.tex | 92 <string tag> library [<string tag_in_lib>] \ 237 <string tag> library [<string tag_in_lib>] \
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/user/ |
H A D | basis.tex | 36 <string tag> library [<string tag_in_lib>] \ 152 <string tag> library [<string tag_in_lib>] \ 213 variable \verb+<tag_in_lib>+ must also be entered on this line, to
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H A D | ecp.tex | 92 <string tag> library [<string tag_in_lib>] \ 237 <string tag> library [<string tag_in_lib>] \
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