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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_diana_wrtxyz.F1 subroutine argos_diana_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, argument
10 character*16 sgmnam(msa)
33 atom=sgmnam(i)(6:7)
51 atom=sgmnam(i)(6:7)
102 atom=sgmnam(i)(6:7)
120 atom=sgmnam(i)(6:7)
H A Dargos_diana_equivalent.F1 subroutine argos_diana_equivalent(sgmnam,imol,iequi,itmp) argument
13 character*16 sgmnam(msa)
37 if(sgmnam(isa)(1:10).ne.sgmnam(jsa)(1:10)) goto 4
H A Dargos_diana_rdtop.F1 subroutine argos_diana_rdtop(sgmnam,qs,qw,iram,imol,ibnd) argument
11 character*16 sgmnam(msa)
117 write(sgmnam(i),2004) sname,aname,num
137 if(sgmnam(j)(6:10).eq.' C '.and.
138 + sgmnam(num)(6:10).eq.' N ') then
142 if(sgmnam(num)(6:10).eq.' C '.and.
143 + sgmnam(j)(6:10).eq.' N ') then
H A Dargos_diana_wthdr.F1 subroutine argos_diana_wthdr(fmt,sgmnam,tag,isel,logw) argument
9 character*16 cwa,sgmnam(msa)
170 elemnt=sgmnam(i)(6:7)
171 name=sgmnam(i)(11:16)//':'//sgmnam(i)(1:5)//':'//sgmnam(i)(6:10)
H A Dargos_diana_index.F1 subroutine argos_diana_index(sgmnam,ia,ja) argument
12 character*16 sgmnam(nsa)
33 read(sgmnam(i)(12:16),'(i5)') k
35 if(sgmnam(i)(6:10).eq.atom(1:5)) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/diana/
H A Ddia_wrtxyz.F1 subroutine dia_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, argument
10 character*16 sgmnam(msa) local
33 atom=sgmnam(i)(6:7)
51 atom=sgmnam(i)(6:7)
102 atom=sgmnam(i)(6:7)
120 atom=sgmnam(i)(6:7)
H A Ddia_tag.F1 subroutine dia_tag(sgmnam,x) argument
10 character*16 sgmnam(nsa) local
13 call dia_settag(sgmnam,byte_mb(i_tag),dbl_mb(i_val),x)
17 subroutine dia_settag(sgmnam,tag,val,x) argument
27 character*16 sgmnam(nsa) local
66 read(sgmnam(i),'(a5,a5,i6)') cst,ct,it
H A Ddia_init.F289 subroutine dia_anahdr(sgmnam) argument
296 character*16 sgmnam(nsa) local
306 write(atom(j),'(a5,a,a5)') sgmnam(idist(i,j,1))(12:16),':',
307 + sgmnam(idist(i,j,1))(6:10)
321 write(atom(j),'(a5,a,a5)') sgmnam(iangl(i,j,1))(12:16),':',
322 + sgmnam(iangl(i,j,1))(6:10)
335 write(atom(j),'(a5,a,a5)') sgmnam(itors(i,j,1))(12:16),':',
336 + sgmnam(itors(i,j,1))(6:10)
349 write(atom(j),'(a5,a,a5)') sgmnam(iimps(i,j,1))(12:16),':',
350 + sgmnam(iimps(i,j,1))(6:10)
H A Ddia_wthdr.F1 subroutine dia_wthdr(fmt,sgmnam,tag,isel,logw) argument
9 character*16 cwa,sgmnam(msa) local
172 elemnt=sgmnam(i)(6:7)
173 name=sgmnam(i)(11:16)//':'//sgmnam(i)(1:5)//':'//sgmnam(i)(6:10)
H A Ddia_index.F1 subroutine dia_index(sgmnam,ia,ja) argument
12 character*16 sgmnam(nsa) local
33 read(sgmnam(i)(12:16),'(i5)') k
35 if(sgmnam(i)(6:10).eq.atom(1:5)) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/analyz/
H A Dana_tag.F1 subroutine ana_tag(card,sgmnam,x) argument
11 character*16 sgmnam(nsa)
14 call ana_settag(card,sgmnam,byte_mb(i_tag),dbl_mb(i_val),x)
18 subroutine ana_settag(card,sgmnam,tag,val,x) argument
29 character*16 sgmnam(nsa)
68 read(sgmnam(i),'(a5,a5,i6)') cst,ct,it
H A Dana_wrtxyz.F1 subroutine ana_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, argument
10 character*16 sgmnam(msa)
33 atom=sgmnam(i)(6:7)
51 atom=sgmnam(i)(6:7)
102 atom=sgmnam(i)(6:7)
120 atom=sgmnam(i)(6:7)
H A Dana_index.F1 subroutine ana_index(card,sgmnam,ia,ja) argument
12 character*16 sgmnam(nsa)
33 read(sgmnam(i)(12:16),'(i5)') k
35 if(sgmnam(i)(6:10).eq.atom(1:5)) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_diana_wrtxyz.F1 subroutine argos_diana_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, argument
10 character*16 sgmnam(msa)
33 atom=sgmnam(i)(6:7)
51 atom=sgmnam(i)(6:7)
102 atom=sgmnam(i)(6:7)
120 atom=sgmnam(i)(6:7)
H A Dargos_diana_equivalent.F1 subroutine argos_diana_equivalent(sgmnam,imol,iequi,itmp) argument
13 character*16 sgmnam(msa)
37 if(sgmnam(isa)(1:10).ne.sgmnam(jsa)(1:10)) goto 4
H A Dargos_diana_rdtop.F1 subroutine argos_diana_rdtop(sgmnam,qs,qw,iram,imol,ibnd) argument
11 character*16 sgmnam(msa)
117 write(sgmnam(i),2004) sname,aname,num
137 if(sgmnam(j)(6:10).eq.' C '.and.
138 + sgmnam(num)(6:10).eq.' N ') then
142 if(sgmnam(num)(6:10).eq.' C '.and.
143 + sgmnam(j)(6:10).eq.' N ') then
H A Dargos_diana_wthdr.F1 subroutine argos_diana_wthdr(fmt,sgmnam,tag,isel,logw) argument
9 character*16 cwa,sgmnam(msa)
170 elemnt=sgmnam(i)(6:7)
171 name=sgmnam(i)(11:16)//':'//sgmnam(i)(1:5)//':'//sgmnam(i)(6:10)
H A Dargos_diana_index.F1 subroutine argos_diana_index(sgmnam,ia,ja) argument
12 character*16 sgmnam(nsa)
33 read(sgmnam(i)(12:16),'(i5)') k
35 if(sgmnam(i)(6:10).eq.atom(1:5)) then
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/diana/
H A Ddia_tag.F1 subroutine dia_tag(sgmnam,x) argument
10 character*16 sgmnam(nsa)
13 call dia_settag(sgmnam,byte_mb(i_tag),dbl_mb(i_val),x)
17 subroutine dia_settag(sgmnam,tag,val,x) argument
27 character*16 sgmnam(nsa)
66 read(sgmnam(i),'(a5,a5,i6)') cst,ct,it
H A Ddia_wrtxyz.F1 subroutine dia_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, argument
10 character*16 sgmnam(msa)
33 atom=sgmnam(i)(6:7)
51 atom=sgmnam(i)(6:7)
102 atom=sgmnam(i)(6:7)
120 atom=sgmnam(i)(6:7)
H A Ddia_init.F289 subroutine dia_anahdr(sgmnam) argument
296 character*16 sgmnam(nsa)
306 write(atom(j),'(a5,a,a5)') sgmnam(idist(i,j,1))(12:16),':',
307 + sgmnam(idist(i,j,1))(6:10)
321 write(atom(j),'(a5,a,a5)') sgmnam(iangl(i,j,1))(12:16),':',
322 + sgmnam(iangl(i,j,1))(6:10)
335 write(atom(j),'(a5,a,a5)') sgmnam(itors(i,j,1))(12:16),':',
336 + sgmnam(itors(i,j,1))(6:10)
349 write(atom(j),'(a5,a,a5)') sgmnam(iimps(i,j,1))(12:16),':',
350 + sgmnam(iimps(i,j,1))(6:10)
H A Ddia_wthdr.F1 subroutine dia_wthdr(fmt,sgmnam,tag,isel,logw) argument
9 character*16 cwa,sgmnam(msa)
172 elemnt=sgmnam(i)(6:7)
173 name=sgmnam(i)(11:16)//':'//sgmnam(i)(1:5)//':'//sgmnam(i)(6:10)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/analyz/
H A Dana_tag.F1 subroutine ana_tag(card,sgmnam,x) argument
11 character*16 sgmnam(nsa)
14 call ana_settag(card,sgmnam,byte_mb(i_tag),dbl_mb(i_val),x)
18 subroutine ana_settag(card,sgmnam,tag,val,x) argument
29 character*16 sgmnam(nsa)
68 read(sgmnam(i),'(a5,a5,i6)') cst,ct,it
H A Dana_wrtxyz.F1 subroutine ana_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, argument
10 character*16 sgmnam(msa) local
33 atom=sgmnam(i)(6:7)
51 atom=sgmnam(i)(6:7)
102 atom=sgmnam(i)(6:7)
120 atom=sgmnam(i)(6:7)
H A Dana_index.F1 subroutine ana_index(card,sgmnam,ia,ja) argument
12 character*16 sgmnam(nsa)
33 read(sgmnam(i)(12:16),'(i5)') k
35 if(sgmnam(i)(6:10).eq.atom(1:5)) then

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