Home
last modified time | relevance | path

Searched refs:ider2 (Results 1 – 15 of 15) sorted by relevance

/dports/math/sisl/SISL-SISL-4.6.0-44-g9114631/src/
H A Ds1424.c55 s1424(SISLSurf *ps1,int ider1,int ider2,double epar[], in s1424() argument
58 void s1424(ps1,ider1,ider2,epar,ileft1,ileft2,eder,jstat) in s1424()
61 int ider2;
306 if((sder = newarray(kdim*(ider1+1)*(ider2+1),DOUBLE)) == SISL_NULL)
320 if (ider1 < 0 || ider2 < 0) goto err178;
326 kder2 = min(kk2-1,ider2);
331 kder2 = ider2;
371 for (ki=0; ki<(ider2+1)*(ider1+1)*kdim; ki++) sder[ki] = DZERO;
477 if (kder1 < ider1 || kder2 < ider2)
483 for (kj=ider2 ; 0<=kj ; kj--)
[all …]
H A Ds1386.c57 void s1386(ps,ider1,ider2,rsnew,jstat) in s1386()
60 int ider2;
186 if ( ider1 < 0 || ider2 < 0 ) goto err156;
215 kk1 = (ider1 + ider2 + 1)*ps->ik1 - (ider1 + ider2);
216 multadd = (ider1+ider2)*ps->ik1 - ider2;
272 kk2 = (ider1 + ider2 + 1)*ps->ik2 - (ider1 + ider2);
273 multadd = (ider1 + ider2)*ps->ik2 - ider1;
324 deriv = newarray((ider1 + 1)*(ider2 + 1)*kdim, DOUBLE);
336 denom = pow(denom, (ider1 + ider2 + 1));
341 deriv[(ider2*(ider1+1)+ider1)*kdim + ki]*denom;
[all …]
H A Ds6sratder.c55 s6sratder(double eder[],int idim,int ider1,int ider2,double gder[],int *jstat) in s6sratder() argument
57 void s6sratder(eder,idim,ider1,ider2,gder,jstat) in s6sratder()
61 int ider2;
186 if (ider1<0 || ider2<0) goto err178;
199 if(ider1 == 0 && ider2 == 0)
213 ider2p1 = ider2 + 1;
221 idermax = max(ider1,ider2);
267 for(idv=0,binomv=binom,j=0,k=0; idv<=ider2; idv++,binomv+=idv)
H A Ds1425.c55 s1425(SISLSurf *ps1,int ider1,int ider2,int iside1,int iside2,double epar[], in s1425() argument
58 void s1425(ps1,ider1,ider2,iside1,iside2,epar,ileft1,ileft2,eder,jstat) in s1425()
61 int ider2;
330 if((sder=newarray(kdim*(ider1+1)*(ider2+1),DOUBLE)) == SISL_NULL)
347 if (ider1 < 0 || ider2 < 0) goto err178;
354 kder2 = min(kk2-1,ider2);
393 for (ki=0; ki<(ider2+1)*(ider1+1)*kdim; ki++) sder[ki] = DZERO;
548 if (kder1 < ider1 || kder2 < ider2)
554 for (kj=ider2 ; 0<=kj ; kj--)
575 s6sratder(sder,ps1->idim,ider1,ider2,eder,&kstat);
H A Ds1223.c58 int ibase1, int ibase2, double par[], int ider1, int ider2, in s1223() argument
61 void s1223(et1, et2, ik1, ik2, in1, in2, ibase1, ibase2, par, ider1, ider2, in s1223()
73 int ider2;
163 kder2 = min(ik2 - 1, ider2);
211 for ( ; ki < (ider2 + 1); ki++)
H A Dsh1461.c955 sh1461_s9comder(int ider1,int ider2,double ederprev[],int idim, in sh1461_s9comder() argument
959 static void sh1461_s9comder(ider1,ider2,ederprev,idim,aro00,aro01,aro10, in sh1461_s9comder()
961 int ider1,ider2,idim,*jstat; in sh1461_s9comder()
1002 if (ider1 + ider2 != 2) goto err001;
1014 for (kk=0; kk<ider2; kk++) t01*=aro01;
1016 for (kk=0; kk<=ider2; kk++)
1018 tfac2 = (ider2 > 0) ? (double)((kk % ider2) + 1) : (double)1.0;
1024 else if (kk == ider2-1) t01 = (double)1.0;
/dports/math/sisl/SISL-SISL-4.6.0-44-g9114631/doc/manual/func/
H A Ds1425.tex5 To compute the value and $ider1\times ider2$ first derivatives
9 $i=0,1,\dots,ider1$, $j=0,1,\dots,ider2$. The calculations are
14 …{\fov ps1}, {\fov ider1}, {\fov ider2}, {\fov iside1}, {\fov iside2}, {\fov epar}, {\fov ileft1}, …
18 \>\> int \> {\fov ider2};\\
44 $D(0,0),D(0,1),\dots,D(0,ider2)$).
54 \>\> {\fov ider2}\> - \> \begin{minipg2}
144 Array of dimension $(ider2+1)*(ider1+1)*idim$
159 would be $eder[ider2+1,ider1+1,idim]$.
170 \>\> int \> {\fov ider2} = 1;\\
180 …{\fov ps1}, {\fov ider1}, {\fov ider2}, {\fov iside1}, {\fov iside2}, {\fov epar}, \&{\fov ileft1}…
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/
H A Dgrid_modify_pab_block.F204 …SUBROUTINE prepare_dijadijb(pab_local, pab, ider1, ider2, lxa, lya, lza, lxb, lyb, lzb, o1, o2, ze… argument
208 INTEGER, INTENT(in) :: ider1, ider2, lxa, lya, lza, lxb, lyb, & local
220 IF ((ider1 == 1 .AND. ider2 == 2) .OR. (ider1 == 2 .AND. ider2 == 1)) THEN ! xy
233 ELSEIF ((ider1 == 2 .AND. ider2 == 3) .OR. (ider1 == 3 .AND. ider2 == 2)) THEN ! yz
246 ELSEIF ((ider1 == 3 .AND. ider2 == 1) .OR. (ider1 == 1 .AND. ider2 == 3)) THEN ! zx
H A Dgrid_collocate.F114 INTEGER :: ider1, ider2, idir, ir, la_max_local, la_min_local, lb_max_local, lb_min_local, & local
249 ider2 = ider1 + 1
250 IF (ider2 > 3) ider2 = ider1 - 2
267 CALL prepare_dijadijb(pab_local, pab, ider1, ider2, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_modify_pab_block.F221 …SUBROUTINE prepare_dijadijb(pab_local, pab, ider1, ider2, lxa, lya, lza, lxb, lyb, lzb, o1, o2, ze… argument
225 INTEGER, INTENT(in) :: ider1, ider2, lxa, lya, lza, lxb, lyb, & local
237 IF ((ider1 == 1 .AND. ider2 == 2) .OR. (ider1 == 2 .AND. ider2 == 1)) THEN ! xy
250 ELSEIF ((ider1 == 2 .AND. ider2 == 3) .OR. (ider1 == 3 .AND. ider2 == 2)) THEN ! yz
263 ELSEIF ((ider1 == 3 .AND. ider2 == 1) .OR. (ider1 == 1 .AND. ider2 == 3)) THEN ! zx
H A Dqs_collocate_density.F2676 INTEGER :: cmax, gridbounds(2, 3), i, ico, icoef, ider1, ider2, ig, ithread_l, & local
2901 ider2 = ga_gb_function - 600 + 1
2902 IF (ider2 > 3) ider2 = ider1 - 2
2919 CALL prepare_dijadijb(pab_local, pab, ider1, ider2, &
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/texas/
H A Dderivat.F394 common /memor4b/ider0,ider1,ider2 local
879 common /memor4b/ider0,ider1,ider2 local
897 ider2=ibuf2
899 ider1=ider2+incr45
908 * bl(ider2),bl(ixabq))
H A Damshift.F55 common /memor4b/ider0,ider1,ider2
/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/texas/
H A Dderivat.F394 common /memor4b/ider0,ider1,ider2
879 common /memor4b/ider0,ider1,ider2
897 ider2=ibuf2
899 ider1=ider2+incr45
908 * bl(ider2),bl(ixabq))
H A Damshift.F55 common /memor4b/ider0,ider1,ider2