| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/texas/ |
| H A D | gencon.f | 77 * indgc,gcoef, argument
83 dimension gcoef(ngcd,nbls)
137 * indgc,gcoef) argument
186 * ngcd,indgc,gcoef,ijkln) argument
205 dimension gcoef(nbls,ngcd)
382 * indx,nbls1,ngcd,gcoef) argument
393 dimension gcoef(nbls,ngcd)
423 * gcoef,aax,bbx,ccx, argument
428 dimension gcoef(nbls,ngcd)
473 dimension gcoef(nbls,ngcd)
[all …]
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| H A D | abcd.F | 5 * aaa,bbb,const,gcoef,ngcd)
35 dimension const(nbls1),gcoef(ngcd,*)
118 call get_max_gcoef(gcoef(1,ijkl),ngcd,gc_max)
161 call get_max_gcoef(gcoef(1,ijkl),ngcd,gc_max)
194 * const,gcoef,ngcd)
209 dimension const(nbls1), gcoef(ngcd,*)
283 call get_max_const(nbls1,const,ngcd,index,gcoef,const_max)
312 call get_max_const(nbls1,const,ngcd,index,gcoef,const_max)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/texas/ |
| H A D | gencon.f | 77 * indgc,gcoef,
83 dimension gcoef(ngcd,nbls)
137 * indgc,gcoef)
186 * ngcd,indgc,gcoef,ijkln)
205 dimension gcoef(nbls,ngcd)
382 * indx,nbls1,ngcd,gcoef)
393 dimension gcoef(nbls,ngcd)
423 * gcoef,aax,bbx,ccx,
428 dimension gcoef(nbls,ngcd)
473 dimension gcoef(nbls,ngcd)
[all …]
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| H A D | abcd.F | 5 * aaa,bbb,const,gcoef,ngcd)
35 dimension const(nbls1),gcoef(ngcd,*)
118 call get_max_gcoef(gcoef(1,ijkl),ngcd,gc_max)
161 call get_max_gcoef(gcoef(1,ijkl),ngcd,gc_max)
194 * const,gcoef,ngcd)
209 dimension const(nbls1), gcoef(ngcd,*)
283 call get_max_const(nbls1,const,ngcd,index,gcoef,const_max)
312 call get_max_const(nbls1,const,ngcd,index,gcoef,const_max)
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| /dports/math/sisl/SISL-SISL-4.6.0-44-g9114631/src/ |
| H A D | s1732.c | 55 s1732(SISLCurve *pc,int icont,double *cstart,double *cend,double *gcoef,int *jstat) in s1732() argument
57 void s1732(pc,icont,cstart,cend,gcoef,jstat) in s1732()
62 double *gcoef;
150 memcopy(gcoef,&rcoef[kfi*kdim],kdim*pc->ik,double);
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| H A D | s1733.c | 56 double *cstart2,double *cend2,double *gcoef,int *jstat) in s1733() argument
58 void s1733(ps,icont1,icont2,cstart1,cend1,cstart2,cend2,gcoef,jstat) in s1733()
66 double *gcoef;
177 memcopy(gcoef+ki*kdim*ps->ik1,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/rel/ |
| H A D | set_modelpotential_params.F | 21 double precision gcoef(natoms,50)
50 gcoef(i,k) = 0d0
59 gcoef(i,k) = mpcoef(j,k)
76 & gcoef)) call errquit(pname//'unable to set gcoef',0,RTDB_ERR)
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| H A D | get_modelpotential_params.F | 3 & gelem, gexpo, gcoef)
17 double precision gcoef(natoms,50)
31 & gcoef)) call errquit(pname//'unable to access gcoef',0,RTDB_ERR)
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| H A D | calc_modelpotential.F | 17 & closegridpts,gexpo,gcoef,amat_mp)
30 double precision gexpo(natoms,50),gcoef(natoms,50)
70 atom_mp = atom_mp + gcoef(i,j)*dgami(0.5d0,rtemp2)/dsqrt(pi)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/ |
| H A D | set_modelpotential_params.F | 21 double precision gcoef(natoms,50) local
50 gcoef(i,k) = 0d0
59 gcoef(i,k) = mpcoef(j,k)
76 & gcoef)) call errquit(pname//'unable to set gcoef',0,RTDB_ERR)
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| H A D | get_modelpotential_params.F | 3 & gelem, gexpo, gcoef)
17 double precision gcoef(natoms,50)
31 & gcoef)) call errquit(pname//'unable to access gcoef',0,RTDB_ERR)
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| H A D | calc_modelpotential.F | 17 & closegridpts,gexpo,gcoef,amat_mp)
30 double precision gexpo(natoms,50),gcoef(natoms,50)
70 atom_mp = atom_mp + gcoef(i,j)*dgami(0.5d0,rtemp2)/dsqrt(pi)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/ |
| H A D | gridHartreePotential.F | 5 & closegridpts, gexpo, gcoef, amat_coul)
21 double precision gcoef(natoms,50)
28 & closegridpts,gexpo,gcoef,amat_coul) !amat_coul = v(modelpot)
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| H A D | calc_zora_facs.F | 4 & use_modelpotential,gexpo,gcoef,
35 double precision gcoef(natoms,50)
51 & closegridpts, gexpo, gcoef, amat_coul)
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| H A D | calc_zora_sf.F | 21 & gcoef) ! in
50 double precision gcoef(natoms,50)
58 & use_modelpotential,gexpo,gcoef,
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| H A D | calc_zora_EFGZ4_SR.F | 17 & gcoef,
47 double precision gcoef(natoms,50)
65 & closegridpts, gexpo, gcoef, amat_coul)
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| H A D | calc_zora_so.F | 20 & use_modelpotential,gexpo,gcoef)
55 double precision gcoef(natoms,50)
68 & use_modelpotential,gexpo,gcoef,
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| H A D | calc_zora_EFGZ4_SO.F | 17 & gcoef,
60 double precision gcoef(natoms,50)
75 & closegridpts, gexpo, gcoef, amat_coul)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/ |
| H A D | gridHartreePotential.F | 5 & closegridpts, gexpo, gcoef, amat_coul)
21 double precision gcoef(natoms,50)
28 & closegridpts,gexpo,gcoef,amat_coul) !amat_coul = v(modelpot)
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| H A D | calc_zora_facs.F | 4 & use_modelpotential,gexpo,gcoef,
35 double precision gcoef(natoms,50)
51 & closegridpts, gexpo, gcoef, amat_coul)
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| H A D | calc_zora_sf.F | 21 & gcoef) ! in
50 double precision gcoef(natoms,50)
58 & use_modelpotential,gexpo,gcoef,
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| H A D | calc_zora_EFGZ4_SR.F | 17 & gcoef,
47 double precision gcoef(natoms,50)
65 & closegridpts, gexpo, gcoef, amat_coul)
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| H A D | calc_zora_so.F | 20 & use_modelpotential,gexpo,gcoef)
55 double precision gcoef(natoms,50)
68 & use_modelpotential,gexpo,gcoef,
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| H A D | calc_zora_EFGZ4_SO.F | 17 & gcoef,
60 double precision gcoef(natoms,50)
75 & closegridpts, gexpo, gcoef, amat_coul)
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| /dports/science/InsightToolkit/ITK-5.0.1/Examples/IO/XML/ |
| H A D | itkParticleSwarmOptimizerDOMReader.cxx | 80 double gcoef = 0; s >> gcoef; in GenerateData() local
81 output->SetGlobalCoefficient( gcoef ); in GenerateData()
|