/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
H A D | int_hf1sp.F | 23 & xyzj,expj,coefj, j_nprim, j_ngen, Lj, ictrj, argument 77 & xyzj,expj,coefj,j_nprim,j_ngen,Lj,ictrj, 86 & xyzj,expj,coefj,j_nprim,1,0,ictrj, 96 & expj,coefj(1,2), 110 & expj,coefj(1,1), 124 & expj,coefj(1,2), 140 & xyzj,expj,coefj,j_nprim,j_ngen,Lj,ictrj, 150 & expj,coefj,j_nprim,j_ngen,Lj,ictrj, 161 & xyzj,expj,coefj,j_nprim,1,0,ictrj, 170 & expj,coefj(1,2), [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
H A D | int_hf1sp.F | 23 & xyzj,expj,coefj, j_nprim, j_ngen, Lj, ictrj, 77 & xyzj,expj,coefj,j_nprim,j_ngen,Lj,ictrj, 86 & xyzj,expj,coefj,j_nprim,1,0,ictrj, 96 & expj,coefj(1,2), 110 & expj,coefj(1,1), 124 & expj,coefj(1,2), 140 & xyzj,expj,coefj,j_nprim,j_ngen,Lj,ictrj, 150 & expj,coefj,j_nprim,j_ngen,Lj,ictrj, 161 & xyzj,expj,coefj,j_nprim,1,0,ictrj, 170 & expj,coefj(1,2), [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/hondo/ |
H A D | hnd_stvintdd.F | 7 1 i_cent,xyzj,expj,coefj, j_nprim, j_ngen, Lj, j_cent, 27 double precision expj(j_nprim) ! [input] exponents on j 54 1 xyzj,expj,coefj, j_nprim, j_ngen, Lj, scr, scr, sder, 74 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,i,scr, 88 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,i, 107 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,xyz,scr,scr,tder,
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H A D | hnd_stvintd.F | 7 1 i_cent,xyzj,expj,coefj, j_nprim, j_ngen, Lj, j_cent, 27 double precision expj(j_nprim) ! [input] exponents on j 55 1 xyzj,expj,coefj, j_nprim, j_ngen, Lj, sder, sder(nint*3+1), 63 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,i,vder((i-1)*3*nint+1), 72 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,xyz,tder,tder(nint*3+1), 78 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,xyz,tder,tder(nint*3+1),
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H A D | hnd_veloc.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,veloc,scr,lscr) 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 20 call hnd_veloca(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 29 1 expj,coefj,j_nprim,j_ngen,Lj,nint,veloc, 39 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 85 aj=expj(jg)
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H A D | hnd_giaos100.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,s10,scr,lscr) 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaos1001(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 29 1 expj,coefj,j_nprim,j_ngen,Lj,nint,s10, 37 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 87 aj=expj(jg)
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H A D | hnd_giaos10.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,s10,scr,lscr) 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaos101(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 29 1 expj,coefj,j_nprim,j_ngen,Lj,nint,s10, 37 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 89 aj=expj(jg)
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H A D | hnd_giaol10.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,l10,scr,lscr) 10 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaol101(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 30 1 expj,coefj,j_nprim,j_ngen,Lj,nint,l10, 38 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 84 aj=expj(jg)
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H A D | hnd_angmom.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,angmom,scr,lscr) argument 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 20 call hnd_angmoma(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 29 1 expj,coefj,j_nprim,j_ngen,Lj,nint,angmom, argument 39 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 87 aj=expj(jg)
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H A D | hnd_giaoh01.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat,scr,lscr) 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaoh011(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 30 1 expj,coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat, 40 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 92 aj=expj(jg)
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H A D | hnd_giaobq10.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,coordbq,zbq,nbq,nint,bq10,scr,lscr) 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaobq101(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 31 1 expj,coefj,j_nprim,j_ngen,Lj,coordbq,zbq,nbq,nint, 41 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 103 aj=expj(jg)
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H A D | hnd_pso.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,e11,scr,lscr,catms,nat) 12 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 23 call hnd_pso1(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 31 1 expj,coefj,j_nprim,j_ngen,Lj,catms,nat,nint,e11, 41 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 96 aj=expj(jg)
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H A D | hnd_dipvel.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,dipvel,scr,lscr) 17 call hnd_dipvela(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 26 1 expj,coefj,j_nprim,j_ngen,Lj,nint,dipvel, 36 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 84 aj=expj(jg)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/ |
H A D | hnd_stvintd.F | 7 1 i_cent,xyzj,expj,coefj, j_nprim, j_ngen, Lj, j_cent, 27 double precision expj(j_nprim) ! [input] exponents on j 55 1 xyzj,expj,coefj, j_nprim, j_ngen, Lj, sder, sder(nint*3+1), 63 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,i,vder((i-1)*3*nint+1), 72 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,xyz,tder,tder(nint*3+1), 78 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,xyz,tder,tder(nint*3+1),
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H A D | hnd_stvintdd.F | 7 1 i_cent,xyzj,expj,coefj, j_nprim, j_ngen, Lj, j_cent, 27 double precision expj(j_nprim) ! [input] exponents on j 54 1 xyzj,expj,coefj, j_nprim, j_ngen, Lj, scr, scr, sder, 74 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,i,scr, 88 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,i, 107 1 xyzj,expj,coefj,j_nprim,j_ngen,Lj,xyz,scr,scr,tder,
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H A D | hnd_giaos100.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,s10,scr,lscr) 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaos1001(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 29 1 expj,coefj,j_nprim,j_ngen,Lj,nint,s10, 37 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 87 aj=expj(jg)
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H A D | hnd_veloc.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,veloc,scr,lscr) argument 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 20 call hnd_veloca(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 29 1 expj,coefj,j_nprim,j_ngen,Lj,nint,veloc, argument 39 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 85 aj=expj(jg)
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H A D | hnd_giaos10.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,s10,scr,lscr) 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaos101(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 29 1 expj,coefj,j_nprim,j_ngen,Lj,nint,s10, 37 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 89 aj=expj(jg)
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H A D | hnd_giaol10.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,l10,scr,lscr) 10 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaol101(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 30 1 expj,coefj,j_nprim,j_ngen,Lj,nint,l10, 38 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 84 aj=expj(jg)
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H A D | hnd_angmom.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,angmom,scr,lscr) 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 20 call hnd_angmoma(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 29 1 expj,coefj,j_nprim,j_ngen,Lj,nint,angmom, 39 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 87 aj=expj(jg)
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H A D | hnd_giaoh01.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat,scr,lscr) argument 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaoh011(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 30 1 expj,coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat, argument 40 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 92 aj=expj(jg)
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H A D | hnd_pso.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,e11,scr,lscr,catms,nat) argument 12 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 23 call hnd_pso1(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 31 1 expj,coefj,j_nprim,j_ngen,Lj,catms,nat,nint,e11, argument 41 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 96 aj=expj(jg)
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H A D | hnd_giaobq10.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,coordbq,zbq,nbq,nint,bq10,scr,lscr) argument 11 dimension xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 21 call hnd_giaobq101(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 31 1 expj,coefj,j_nprim,j_ngen,Lj,coordbq,zbq,nbq,nint, argument 41 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 103 aj=expj(jg)
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H A D | hnd_dipvel.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,dipvel,scr,lscr) argument 17 call hnd_dipvela(xyzi,expi,coefi,i_nprim,i_ngen,Li,xyzj,expj, 26 1 expj,coefj,j_nprim,j_ngen,Lj,nint,dipvel, argument 36 dimension Nxyz(3),xyzi(3),xyzj(3),expi(i_nprim),expj(j_nprim) 84 aj=expj(jg)
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/dports/math/kalker/gmp-mpfr-sys-21966f4bfb56c87d407eb14c72e92ef4e55856aa/mpfr-4.1.0-p13-c/tests/ |
H A D | tsubnormal.c | 54 int i, j, k, s, old_inex, tiny, expj; in check1() local 72 expj = tab[i].j; in check1() 77 expj = - expj; in check1() 86 (expj ? MPFR_FLAGS_INEXACT : 0); in check1() 91 flags != expflags || ! SAME_SIGN (j, expj)) in check1() 101 printf ("Expected ternary value = %d, got %d\n", expj, j); in check1()
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