| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/hondo/ |
| H A D | hnd_dso.F | 3 2 xyzpt, npairs)
12 dimension xyzpt(3,npairs,2),dso(nint,9,npairs)
18 1 coefj, j_nprim, j_ngen, Lj, nint, dso, xyzpt, npairs,
25 1 expj,coefj, j_nprim, j_ngen, Lj, nint, dso, xyzpt, npairs,
39 dimension xyzpt(3,npairs,2),dso(nint,9,npairs)
91 dx=xyzpt(1,jpt,2)
92 dy=xyzpt(2,jpt,2)
93 dz=xyzpt(3,jpt,2)
141 cx=xyzpt(1,jpt,1)
142 cy=xyzpt(2,jpt,1)
[all …]
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| H A D | hnd_elfder.F | 3 2 xyzpt, npt)
11 dimension xyzpt(3,npt)
21 1 coefj, j_nprim, j_ngen, Lj, nder, nint, elfder, xyzpt, npt, idim,
29 1 expj,coefj, j_nprim, j_ngen, Lj, nder, nint, elfder, xyzpt, npt,
42 dimension xyzpt(3,npt),elfder(nint,idim,npt)
151 x0=xyzpt(1,ipt)
152 y0=xyzpt(2,ipt)
153 z0=xyzpt(3,ipt)
199 cx=xyzpt(1,ipt)
200 cy=xyzpt(2,ipt)
[all …]
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| H A D | hnd_giaoh01.F | 2 & expj,coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat,scr,lscr)
13 dimension h01(nint,3,nat), xyzpt(3,nat)
22 1 coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat,
30 1 expj,coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat,
42 dimension h01(nint,3,nat), xyzpt(3,nat)
115 cx=xyzpt(1,ipt)
116 cy=xyzpt(2,ipt)
117 cz=xyzpt(3,ipt)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/ |
| H A D | hnd_dso.F | 3 2 xyzpt, npairs)
12 dimension xyzpt(3,npairs,2),dso(nint,9,npairs)
18 1 coefj, j_nprim, j_ngen, Lj, nint, dso, xyzpt, npairs,
25 1 expj,coefj, j_nprim, j_ngen, Lj, nint, dso, xyzpt, npairs,
39 dimension xyzpt(3,npairs,2),dso(nint,9,npairs)
91 dx=xyzpt(1,jpt,2)
92 dy=xyzpt(2,jpt,2)
93 dz=xyzpt(3,jpt,2)
141 cx=xyzpt(1,jpt,1)
142 cy=xyzpt(2,jpt,1)
[all …]
|
| H A D | hnd_elfder.F | 3 2 xyzpt, npt)
11 dimension xyzpt(3,npt)
21 1 coefj, j_nprim, j_ngen, Lj, nder, nint, elfder, xyzpt, npt, idim,
29 1 expj,coefj, j_nprim, j_ngen, Lj, nder, nint, elfder, xyzpt, npt,
42 dimension xyzpt(3,npt),elfder(nint,idim,npt)
151 x0=xyzpt(1,ipt)
152 y0=xyzpt(2,ipt)
153 z0=xyzpt(3,ipt)
199 cx=xyzpt(1,ipt)
200 cy=xyzpt(2,ipt)
[all …]
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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
13 dimension h01(nint,3,nat), xyzpt(3,nat)
22 1 coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat,
30 1 expj,coefj,j_nprim,j_ngen,Lj,nint,h01,xyzpt,nat, argument
42 dimension h01(nint,3,nat), xyzpt(3,nat)
115 cx=xyzpt(1,ipt)
116 cy=xyzpt(2,ipt)
117 cz=xyzpt(3,ipt)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/ |
| H A D | int_giao_1ega.F | 1 subroutine int_giao_1ega(ibas,jbas,g,integ_type,xyzpt,nat, argument
30 double precision xyzpt(3,*) ! [input] coordinates of requested atoms (if needed)
257 $ xyzpt, nat)
261 $ xyzpt, nat, .true.,.false.)
265 $ xyzpt, nat, .false.,.true.)
269 $ xyzpt, nat, .true.,.true.)
273 $ xyzpt, nat)
277 $ xyzpt, nat)
281 & mone,xyzpt,nat)
285 & two,xyzpt,nat)
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| H A D | int_mpole_1ega.F | 1 subroutine int_mpole_1ega(ibas,jbas,g,integ_type,xyzpt,oskel) argument
27 double precision xyzpt(3) ! [input] coordinates of requested atoms (if needed) local
146 call int_mpolel(jbas,jshell,ibas,ishell,type,xyzpt,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/property/ |
| H A D | int_giao_1ega.F | 1 subroutine int_giao_1ega(ibas,jbas,g,integ_type,xyzpt,nat, argument
30 double precision xyzpt(3,*) ! [input] coordinates of requested atoms (if needed)
257 $ xyzpt, nat)
261 $ xyzpt, nat, .true.,.false.)
265 $ xyzpt, nat, .false.,.true.)
269 $ xyzpt, nat, .true.,.true.)
273 $ xyzpt, nat)
277 $ xyzpt, nat)
281 & mone,xyzpt,nat)
285 & two,xyzpt,nat)
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| H A D | int_mpole_1ega.F | 1 subroutine int_mpole_1ega(ibas,jbas,g,integ_type,xyzpt,oskel) argument
27 double precision xyzpt(3) ! [input] coordinates of requested atoms (if needed)
146 call int_mpolel(jbas,jshell,ibas,ishell,type,xyzpt,
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/ |
| H A D | dim_elfder.F | 3 2 xyzpt, npt)
11 dimension xyzpt(3,npt)
21 1 coefj, j_nprim, j_ngen, Lj, nder, nint, elfder, xyzpt, npt, idim,
29 1 expj,coefj, j_nprim, j_ngen, Lj, nder, nint, elfder, xyzpt, npt,
43 dimension xyzpt(3,npt),elfder(nint,idim,npt)
162 x0=xyzpt(1,ipt)
163 y0=xyzpt(2,ipt)
164 z0=xyzpt(3,ipt)
212 cx=xyzpt(1,ipt)
213 cy=xyzpt(2,ipt)
[all …]
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| H A D | dim_1eelec.F | 12 & nder,xyzpt,npts)
48 double precision xyzpt(3,*) ! [input] points where integral is calculated
123 & nder,ncartint,elec,scr,lscr,xyzpt,npts)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/ |
| H A D | dim_elfder.F | 3 2 xyzpt, npt)
11 dimension xyzpt(3,npt)
21 1 coefj, j_nprim, j_ngen, Lj, nder, nint, elfder, xyzpt, npt, idim,
29 1 expj,coefj, j_nprim, j_ngen, Lj, nder, nint, elfder, xyzpt, npt,
43 dimension xyzpt(3,npt),elfder(nint,idim,npt)
162 x0=xyzpt(1,ipt)
163 y0=xyzpt(2,ipt)
164 z0=xyzpt(3,ipt)
212 cx=xyzpt(1,ipt)
213 cy=xyzpt(2,ipt)
[all …]
|
| H A D | dim_1eelec.F | 12 & nder,xyzpt,npts)
48 double precision xyzpt(3,*) ! [input] points where integral is calculated
123 & nder,ncartint,elec,scr,lscr,xyzpt,npts)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | int_dso.F | 32 & xyzpt,npairs) argument
68 double precision xyzpt(3,2*npairs) !< [Input] coords of atoms under consideration local
146 & xyzpt,npairs)
|
| H A D | int_pso.F | 33 & xyzpt,nat) argument
69 double precision xyzpt(3,nat) !< [Input] coords of atoms under consideration local
147 & xyzpt,nat)
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| H A D | int_giaoh01.F | 28 & xyzpt,nat) argument
65 double precision xyzpt(3,nat) !< [Input] coords of atoms under consideration local
139 & ncartint,h01,xyzpt,nat,scr,lscr)
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| H A D | int_giaoh11.F | 28 & xyzpt,nat,para,dia) argument
64 double precision xyzpt(3,nat) !< [Input] coords of atoms under consideration local
139 & xyzpt,nat,
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| H A D | int_1eelec.F | 30 & nder,xyzpt,npts) argument
66 double precision xyzpt(3,*) !< [Input] points where integral is calculated local
141 & nder,ncartint,elec,scr,lscr,xyzpt,npts)
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | int_dso.F | 32 & xyzpt,npairs)
68 double precision xyzpt(3,2*npairs) !< [Input] coords of atoms under consideration
146 & xyzpt,npairs)
|
| H A D | int_giaoh01.F | 28 & xyzpt,nat)
65 double precision xyzpt(3,nat) !< [Input] coords of atoms under consideration
139 & ncartint,h01,xyzpt,nat,scr,lscr)
|
| H A D | int_pso.F | 33 & xyzpt,nat)
69 double precision xyzpt(3,nat) !< [Input] coords of atoms under consideration
147 & xyzpt,nat)
|
| H A D | int_1eelec.F | 30 & nder,xyzpt,npts)
66 double precision xyzpt(3,*) !< [Input] points where integral is calculated
141 & nder,ncartint,elec,scr,lscr,xyzpt,npts)
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| H A D | int_giaoh11.F | 28 & xyzpt,nat,para,dia)
64 double precision xyzpt(3,nat) !< [Input] coords of atoms under consideration
139 & xyzpt,nat,
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| /dports/astro/astrometry/astrometry.net-0.85/util/ |
| H A D | sip.c | 332 anbool tan_xyzarr2pixelxy(const tan_t* tan, const double* xyzpt, double *px, double *py) { in tan_xyzarr2pixelxy() argument
334 if (!tan_xyzarr2iwc(tan, xyzpt, &iwx, &iwy)) { in tan_xyzarr2pixelxy()
344 double xyzpt[3]; in tan_radec2pixelxy() local
345 radecdeg2xyzarr(a,d,xyzpt); in tan_radec2pixelxy()
346 return tan_xyzarr2pixelxy(tan, xyzpt, px, py); in tan_radec2pixelxy()
|