/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/gto/ |
H A D | nr_ecp.c | 5500 for (jc = 0; jc < ncj; jc++) { in ECPtype2_cart() 5545 for (jc = 0; jc < ncj; jc++) { in ECPtype2_cart() 5717 for (jc = 0; jc < ncj; jc++) { in ECPtype_so_cart() 5764 for (jc = 0; jc < ncj; jc++) { in ECPtype_so_cart() 5908 MALLOC_INSTACK(cej, npj*ncj); in ECPtype1_cart() 6009 for (jc = 0; jc < ncj; jc++) { in ECPtype1_cart() 6021 for (jc = 0; jc < ncj; jc++) { in ECPtype1_cart() 6067 int size1 = nci*ncj*(li+lj+1); in ECPscalar_cache_size() 6085 size += nci*ncj*d3; in ECPscalar_cache_size() 6089 size += npj*ncj; in ECPscalar_cache_size() [all …]
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H A D | nr_ecp_deriv.c | 221 const int ncj = bas[NCTR_OF+jsh*BAS_SLOTS]; 229 const int dj = nfj * ncj; 288 for (jc = 0; jc < ncj; jc++) { 502 const int dj = nfj * ncj; 570 for (jc = 0; jc < ncj; jc++) { 696 const int dj = nfj * ncj; 814 for (jc = 0; jc < ncj; jc++) { 934 const int dj = nfj * ncj; 940 double *buf2 = buf1 + nfi1*nci*nfj*ncj; 965 for (i = 0; i < nfi1*nci*nfj*ncj; i++) { [all …]
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/dports/cad/gmsh/gmsh-4.9.2-source/Mesh/ |
H A D | qualityMeasures.cpp | 283 std::vector<double> ncj(3); in NCJRange() local 285 el->getVertex(2)->point(), normal, ncj); in NCJRange() 286 valMin = *std::min_element(ncj.begin(), ncj.end()); in NCJRange() 287 valMax = *std::max_element(ncj.begin(), ncj.end()); in NCJRange() 508 std::vector<double> ncj(4); in NCJRange() local 511 valMin = *std::min_element(ncj.begin(), ncj.end()); in NCJRange() 512 valMax = *std::max_element(ncj.begin(), ncj.end()); in NCJRange() 528 ncj[0] = dot(crossprod(v01n, -v30n), normal); in NCJ() 529 ncj[1] = dot(crossprod(v12n, -v01n), normal); in NCJ() 530 ncj[2] = dot(crossprod(v23n, -v12n), normal); in NCJ() [all …]
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H A D | qualityMeasures.h | 59 std::vector<double> &ncj);
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/gto/test/ |
H A D | test_ecp.py | 89 ncj = mol.bas_nctr(jsh) 117 for jc in range(ncj): 122 g1 = numpy.zeros((nci,ncj,icart,jcart)) 124 for jc in range(ncj): 136 for jc in range(ncj): 199 ncj = mol.bas_nctr(jsh) 230 for jc in range(ncj): 241 for jc in range(ncj): 261 ncj = mol.bas_nctr(jsh) 296 for jc in range(ncj): [all …]
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/dports/print/py-fonttools/fonttools-4.28.2/Lib/fontTools/varLib/ |
H A D | iup.py | 121 ncj = nc[j] 124 if lcj <= ncj: 125 c1, c2 = lcj, ncj 128 c1, c2 = ncj, lcj
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/dports/print/py-fonttools3/fonttools-3.44.0/Lib/fontTools/varLib/ |
H A D | iup.py | 126 ncj = nc[j] 129 if lcj <= ncj: 130 c1, c2 = lcj, ncj 133 c1, c2 = ncj, lcj
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/dports/math/gretl/gretl-2021d/plugin/ |
H A D | fcp.c | 504 int ncj, nci; in vcv_setup() local 521 ncj = nc + j; in vcv_setup() 522 x = gretl_matrix_get(V, i, ncj); in vcv_setup() 523 x += aa * 0.5 / h[t] * dhdp[ncj][t] * (r2_h - 1.0); in vcv_setup() 524 gretl_matrix_set(V, i, ncj, x); in vcv_setup() 525 gretl_matrix_set(V, ncj, i, x); in vcv_setup() 539 ncj = nc + j; in vcv_setup() 540 x = gretl_matrix_get(V, nci, ncj); in vcv_setup() 541 x += aa * 0.5 / h[t] * dhdp[ncj][t] * (r2_h - 1.0); in vcv_setup() 542 gretl_matrix_set(V, nci, ncj, x); in vcv_setup() [all …]
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H A D | geoplot.c | 445 int nf, mp, nac, ncj; in geo2dat() local 503 ncj = gretl_array_get_length(ACj); in geo2dat() 504 for (k=0; k<ncj && !err; k++) { in geo2dat() 506 if (k < ncj-1) { in geo2dat()
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/dports/cad/opencascade/opencascade-7.6.0/src/AdvApp2Var/ |
H A D | AdvApp2Var_MathBase.cxx | 1302 integer ncf, ncj; in mmarc41_() local 1458 for (ncj = 1; ncj <= i__2; ++ncj) { in mmarc41_() 1482 for (ncj = ncf; ncj >= 2; --ncj) { in mmarc41_() 1483 tbaux[ncj - 1] = tbaux[ncj - 1] * *upara0 + tbaux[ncj - 2] * bid; in mmarc41_() 1495 for (ncj = 1; ncj <= i__1; ++ncj) { in mmarc41_() 1496 bid = tbaux[ncj - 1]; in mmarc41_() 1549 integer ncj; in mmarcin_() local 1683 for (ncj = 1; ncj <= i__2; ++ncj) { in mmarcin_() 1706 for (ncj = ncf; ncj >= 2; --ncj) { in mmarcin_() 1707 tabaux[ncj - 1] = tabaux[ncj - 1] * x0 + tabaux[ncj - 2] * x1; in mmarcin_() [all …]
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/dports/math/nauty/nauty27r3/ |
H A D | gentourng.c | 404 long ncj; in makeleveldata() local 417 ncj = 1; in makeleveldata() 421 ncj = (ncj * (n-j+1)) / j; in makeleveldata() 422 if (j >= dmin) nxsets += ncj; in makeleveldata()
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H A D | genbg.c | 522 long ncj; in makeleveldata() local 527 ncj = nxsets = 1; in makeleveldata() 530 ncj = (ncj * (n1 - j + 1)) / j; in makeleveldata() 531 nxsets += ncj; in makeleveldata()
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H A D | geng.c | 953 xword ncj; in makeleveldata() local 964 ncj = nxsets = 1; in makeleveldata() 967 ncj = arith(ncj,n-j+1,j); in makeleveldata() 968 nxsets += ncj; in makeleveldata()
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/dports/math/py-pynauty/pynauty-1.0.2/src/nauty27r1/ |
H A D | gentourng.c | 402 long ncj; in makeleveldata() local 415 ncj = 1; in makeleveldata() 419 ncj = (ncj * (n-j+1)) / j; in makeleveldata() 420 if (j >= dmin) nxsets += ncj; in makeleveldata()
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H A D | genbg.c | 522 long ncj; in makeleveldata() local 527 ncj = nxsets = 1; in makeleveldata() 530 ncj = (ncj * (n1 - j + 1)) / j; in makeleveldata() 531 nxsets += ncj; in makeleveldata()
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H A D | geng.c | 953 xword ncj; in makeleveldata() local 964 ncj = nxsets = 1; in makeleveldata() 967 ncj = arith(ncj,n-j+1,j); in makeleveldata() 968 nxsets += ncj; in makeleveldata()
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/dports/science/xtb/xtb-6.4.1/src/disp/ |
H A D | dftd3.f | 590 subroutine getc6(iat,jat,nci,ncj,c6) argument 595 real(wp) nci,ncj,c6,c6mem local 617 r=(cn1-nci)**2+(cn2-ncj)**2
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/dports/math/gap/gap-4.11.0/pkg/grape-4.8.3/nauty22/ |
H A D | genbg.c | 500 long ncj; in makeleveldata() local 505 ncj = nxsets = 1; in makeleveldata() 508 ncj = (ncj * (n1 - j + 1)) / j; in makeleveldata() 509 nxsets += ncj; in makeleveldata()
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H A D | geng.c | 966 long ncj; in makeleveldata() local 976 ncj = nxsets = 1; in makeleveldata() 979 ncj = (ncj * (n - j + 1)) / j; in makeleveldata() 980 nxsets += ncj; in makeleveldata()
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/dports/security/p5-Crypt-GPG/Crypt-GPG-1.64/t/ |
H A D | 06-keyops.t | 141 q8SWb+ipv/SizVt44R1RSshS6Oxsfddrz4jc+XTMFW73I8O5OGsopNUDWLTK+ncj
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/nbnxm/ |
H A D | pairlist.cpp | 2002 static void sort_cj_excl(nbnxn_cj_t* cj, int ncj, NbnxnPairlistCpuWork* work) in sort_cj_excl() argument 2004 work->cj.resize(ncj); in sort_cj_excl() 2008 for (int j = 0; j < ncj; j++) in sort_cj_excl() 2018 for (int j = 0; j < ncj; j++) in sort_cj_excl() 2025 for (int j = 0; j < ncj; j++) in sort_cj_excl() 3658 const int ncj = srcCi->cj_ind_end - srcCi->cj_ind_start; in copySelectedListRange() local 3662 dest->ci.back().cj_ind_end = dest->ci.back().cj_ind_start + ncj; in copySelectedListRange() 3757 int ncj = srcCi->cj_ind_end - srcCi->cj_ind_start; in rebalanceSimpleLists() local 3773 cjGlobal += ncj; in rebalanceSimpleLists()
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_dispersion_pairpot.F | 2883 SUBROUTINE getc6(maxc, max_elem, c6ab, mxc, iat, jat, nci, ncj, k3, c6, dc6a, dc6b) argument 2888 REAL(KIND=dp), INTENT(IN) :: nci, ncj, k3 local 2915 r = (cn1 - nci)**2 + (cn2 - ncj)**2 2922 dtmpb = -2.0_dp*k3*(cn2 - ncj)*tmp1
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-OLD/ |
H A D | nwpwxc_vdw3a.F | 2407 subroutine nwpwxc_getc6(maxc,max_elem,c6ab,mxc,iat,jat,nci,ncj,c6) argument 2411 real*8 nci,ncj,c6,c6mem local 2448 r=(cn1-nci)**2+(cn2-ncj)**2
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/ |
H A D | nwxc_vdw3a.F | 2391 subroutine getc6(maxc,max_elem,c6ab,mxc,iat,jat,nci,ncj,c6) argument 2395 real*8 nci,ncj,c6,c6mem local 2432 r=(cn1-nci)**2+(cn2-ncj)**2
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/dports/math/geogram/geogram-1.7.7/src/lib/exploragram/hexdom/ |
H A D | hex_cruncher.cpp | 1217 FOR(nci, 2)FOR(ncj, 2)FOR(nck, 2) { // new cell position in cell c in bourrin_subdivide_hexes() 1220 index_t nc = nci + 2 * ncj + 4 * nck; in bourrin_subdivide_hexes() 1223 coeff[0] = vec3(double(nci + nvi) / 2., double(ncj + nvj) / 2., double(nck + nvk) / 2.); in bourrin_subdivide_hexes()
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