| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/gto/ |
| H A D | grid_ao_drv.c | 63 int GTOprim_exp(double *eprim, double *coord, double *alpha, double *coeff, in GTOprim_exp() argument
92 eprim[j*BLKSIZE+i] = exp(-arr) * fac; in GTOprim_exp()
95 eprim[j*BLKSIZE+i] = 0; in GTOprim_exp()
163 double *eprim = grid2atm + atmcount*3*BLKSIZE; in GTOeval_sph_iter() local
164 double *cart_gto = eprim + NPRIMAX*BLKSIZE*2; in GTOeval_sph_iter()
189 (*feval)(cart_gto, ri, eprim, pcoord, p_exp, pcoeff, in GTOeval_sph_iter()
226 double *eprim = grid2atm + atmcount*3*BLKSIZE; in GTOeval_cart_iter() local
245 (*feval)(ao+ao_id*ngrids, ri, eprim, pcoord, p_exp, pcoeff, in GTOeval_cart_iter()
275 double *eprim = grid2atm + atmcount*3*BLKSIZE; in GTOeval_spinor_iter() local
276 double *cart_gto = eprim + NPRIMAX*BLKSIZE*2; in GTOeval_spinor_iter()
[all …]
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| H A D | deriv1.c | 34 double arr, maxc, eprim; in GTOcontract_exp0() local
63 eprim = exp(-arr) * fac; in GTOcontract_exp0()
65 ectr[k*BLKSIZE+i] += eprim * coeff[k*nprim+j]; in GTOcontract_exp0()
215 double arr, maxc, eprim; in GTOcontract_exp1() local
253 eprim = exp(-arr) * fac; in GTOcontract_exp1()
255 ectr [k*BLKSIZE+i] += eprim * coeff [k*nprim+j]; in GTOcontract_exp1()
256 ectr_2a[k*BLKSIZE+i] += eprim * coeff2a[k*nprim+j]; in GTOcontract_exp1()
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| H A D | grid_ao_drv.h | 64 int GTOprim_exp(double *eprim, double *coord, double *alpha, double *coeff,
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/pbc/ |
| H A D | grid_ao.c | 200 double *eprim = grid2atm + nimgs*3*BLKSIZE; in PBCeval_cart_iter() local
201 double *aobuf = eprim + NPRIMAX*BLKSIZE*2; in PBCeval_cart_iter()
250 (*fexp)(eprim, pcoord, p_exp, pcoeff, l, np, nc, bgrids, fac)) { in PBCeval_cart_iter()
252 (*feval)(pao, ri, eprim, pcoord, p_exp, pcoeff, env, in PBCeval_cart_iter()
306 double *eprim = grid2atm + nimgs*3*BLKSIZE; in PBCeval_sph_iter() local
307 double *aobuf = eprim + NPRIMAX*BLKSIZE*2; in PBCeval_sph_iter()
356 (*fexp)(eprim, pcoord, p_exp, pcoeff, l, np, nc, bgrids, fac)) { in PBCeval_sph_iter()
359 (*feval)(pao, ri, eprim, pcoord, p_exp, pcoeff, env, in PBCeval_sph_iter()
362 (*feval)(cart_gto, ri, eprim, pcoord, p_exp, pcoeff, env, in PBCeval_sph_iter()
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| /dports/math/giacxcas/giac-1.6.0/src/ |
| H A D | risch.cc | 633 vecteur eprim(s+1); in risch_poly_part() local
637 …if (!in_risch(e[s-1-j]-(j+1)*eprim[s-1-j]*dX,x,v1,X._SYMBptr->feuille,eprim[s-j],lnc,remains,conte… in risch_poly_part()
641 eprim[s-1-j]=eprim[s-1-j]+rdiv(lnc,j+1,contextptr); in risch_poly_part()
644 bool ok=in_risch(e[s-1]-eprim[s-1]*dX,x,v1,zero,prim_add,lnc,remains,contextptr); in risch_poly_part()
645 prim=prim+prim_add+symb_horner(eprim,X); in risch_poly_part()
652 vecteur eprim(s); in risch_poly_part() local
667 if (!risch_desolve((j+shift)*dY,e[s-1-j],x,v1,eprim[s-1-j],true,contextptr)) { in risch_poly_part()
678 eprim[s-1-j]=0; in risch_poly_part()
684 prim=prim+symb_horner(eprim,X)*pow(X,shift); in risch_poly_part()
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| /dports/math/reduce/Reduce-svn5758-src/packages/int/ |
| H A D | trcase.red | 91 sqrtlist,tanlist,loglist,dflogs,eprim,dfun,unintegrand,
122 eprim := sqmerge(countz car divlist,prim,nil);
123 printfactors(eprim,t);
129 sqfr := for each u in eprim collect multup u;
130 % sqfr := multsqfree eprim;
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| /dports/graphics/gmt/gmt-6.3.0/src/seis/ |
| H A D | pscoupe.c | 321 double ccc = 6400057.7, eprim = 0.08276528; in pscoupe_gutm() local
336 gn = ccc / sqrt(1. + (eprim * co) * (eprim * co)); in pscoupe_gutm()
337 ecoxi = (eprim * co * xi) * (eprim * co * xi); in pscoupe_gutm()
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