Home
last modified time | relevance | path

Searched refs:expj (Results 1 – 25 of 83) sorted by relevance

1234

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/
H A Dint_hf1sp.F23 & 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/
H A Dint_hf1sp.F23 & 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/hondo/
H A Dhnd_stvintdd.F7 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,
H A Dhnd_stvintd.F7 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),
H A Dhnd_veloc.F2 & 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)
H A Dhnd_giaos100.F2 & 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)
H A Dhnd_giaos10.F2 & 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)
H A Dhnd_giaol10.F2 & 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)
H A Dhnd_angmom.F2 & 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)
H A Dhnd_giaoh01.F2 & 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)
H A Dhnd_giaobq10.F2 & 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)
H A Dhnd_pso.F2 & 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)
H A Dhnd_dipvel.F2 & 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/
H A Dhnd_stvintd.F7 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),
H A Dhnd_stvintdd.F7 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,
H A Dhnd_giaos100.F2 & 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)
H A Dhnd_veloc.F2 & 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)
H A Dhnd_giaos10.F2 & 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)
H A Dhnd_giaol10.F2 & 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)
H A Dhnd_angmom.F2 & 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)
H A Dhnd_giaoh01.F2 & 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)
H A Dhnd_pso.F2 & 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)
H A Dhnd_giaobq10.F2 & 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)
H A Dhnd_dipvel.F2 & 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)
/dports/math/kalker/gmp-mpfr-sys-21966f4bfb56c87d407eb14c72e92ef4e55856aa/mpfr-4.1.0-p13-c/tests/
H A Dtsubnormal.c54 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()

1234