/dports/science/gabedit/GabeditSrc251_300720/src/Spectrum/ |
H A D | NMRSpectrum.c | 156 gint nBasis = 0; in computeNMRSpectrumOldMethod() local 235 nDim = nBasis*(nBasis+1)/2; in computeNMRSpectrumOldMethod() 298 is+=basis[ja+i*nBasis]*basis[jb+i*nBasis] ; in computeNMRSpectrumOldMethod() 310 if ( basis[ja+i*nBasis] != basis[jb+i*nBasis] ) break ; in computeNMRSpectrumOldMethod() 314 if ( basis[ja+j*nBasis] != basis[jb+j*nBasis] ) break ; in computeNMRSpectrumOldMethod() 379 is += basis[l+i*nBasis]*basis[m+i*nBasis] ; in computeNMRSpectrumOldMethod() 451 gint nBasis; in initTables() local 497 basis[i+j*nBasis] = basis[k+j*nBasis]; in initTables() 610 is+=basis[ja+i*nBasis]*basis[jb+i*nBasis] ; in buildHamiltonianOneBlock() 697 is += basis[l+i*nBasis]*basis[m+i*nBasis] ; in addTransitions() [all …]
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/dports/cad/opencascade/opencascade-7.6.0/tests/bugs/modalg_5/ |
H A D | bug25124_2 | 11 …immed curve\nParameters : 2 5\nBasis curve :\nOffsetCurveOffset : 10\nBasis curve :\nTrimmed curve… 12 …Dump of oc *************\nOffsetCurveOffset : 20\nBasis curve :\nTrimmed curve\nParameters : 2 5\n…
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H A D | bug25124_1 | 11 …\nParameters : 2 5\nBasis curve :\nOffsetCurveOffset : 10\nDirection : 0, 0, 1 \nBasis curve :\nTr… 12 …**\nOffsetCurveOffset : 20\nDirection : 0, 0, 1 \nBasis curve :\nTrimmed curve\nParameters : 2 5\n…
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/dports/audio/lsp-plugins-lv2/lsp-plugins-1.1.31/src/ui/tk/widgets/graph/ |
H A D | LSPText.cpp | 80 vCoords[i].nBasis = i; in init() 113 ptr[i].nBasis = i; in set_axes() 138 if (vCoords[axis].nBasis == value) in set_basis() 140 vCoords[axis].nBasis = value; in set_basis() 153 return ((axis < 0) || (axis >= nCoords)) ? vCoords[axis].nBasis : 0; in get_basis() 207 LSPAxis *axis = cv->axis(coord->nBasis); in render()
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/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/ |
H A D | DumpBGW.cpp | 50 nBasis.assign(nReducedKpts, 0); in BGW() 53 { nBasis[q] = e.basis[q].nbasis; in BGW() 54 if(q+1<nReducedKpts) nBasisPrev[q+1] = nBasisPrev[q] + nBasis[q]; in BGW() 56 nBasisMax = *std::max_element(nBasis.begin(), nBasis.end()); in BGW() 122 std::vector<complex> buffer(*std::max_element(nBasis.begin(), nBasis.end())); in writeWfn() 130 count[2] = nBasis[ik]; in writeWfn() 138 … eblas_copy(buffer.data(), eVars.C[q].data()+eVars.C[q].index(b, iSpinor*nBasis[ik]), nBasis[ik]); in writeWfn() 139 eblas_zdscal(nBasis[ik], volScaleFac, buffer.data(), 1); in writeWfn() 255 h5writeVector(gidKpts, "ngk", nBasis); in writeHeaderMF()
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H A D | DumpBGW_fluid.cpp | 182 std::vector<int> nBasis(nq); in writeChiFluid() local 204 nBasis[iq] = iGarr[iq].size(); in writeChiFluid() 205 nBasisMax = std::max(nBasisMax, nBasis[iq]); in writeChiFluid() 213 h5writeVector(gidGspace, "nmtx", nBasis); //matrix dimensions for each q in writeChiFluid() 271 if(iCol >= nBasis[iq]) continue; in writeChiFluid() 274 if(iRow >= nBasis[iq]) continue; in writeChiFluid()
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H A D | DumpBGW_internal.h | 69 std::vector<int> nBasis; //!< number of basis functions per reduced k-point variable
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/dports/devel/py-cclib/cclib-1.7.1/cclib/method/ |
H A D | fragments.py | 63 nBasis = self.data.nbasis 69 if nBasis != nFragBasis: 109 blockMatrix = numpy.zeros((nBasis,nBasis), "d") 144 self.nbasis = nBasis
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/dports/science/berkeleygw/BGW-2.0.0/MeanField/EPM/ |
H A D | eigenStatesMod.f90 | 37 Subroutine EigenStatesInit( eigenStates, nStates, nKP, nBasis, tol, iter ) argument 43 integer, intent(in) :: nStates, nKP, nBasis, iter local 60 eigenStates%maxBasisVectors = nBasis
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/quantum/ |
H A D | QchemReader.java | 80 private int nBasis = 0; // # of basis according to qchem field in QchemReader 335 nBasis = parseIntStr(tokens[5]); in readBasis() 465 alphas = new MOInfo[nBasis]; in readESym() 466 betas = new MOInfo[nBasis]; in readESym() 646 mocoef[i] = new float[nBasis]; in readMOs() 649 for (int i = 0, pt = 0; i < nBasis; i++) { in readMOs()
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/dports/databases/sqlite3/sqlite-src-3350500/ext/misc/ |
H A D | fuzzer.c | 221 fuzzer_len nBasis; /* Length of the zBasis string */ member 623 n = pStem->nBasis + pRule->nTo - pRule->nFrom; in fuzzerRender() 632 memcpy(z, pStem->zBasis, pStem->nBasis+1); in fuzzerRender() 637 pStem->nBasis-n-pRule->nFrom+1); in fuzzerRender() 640 assert( z[pStem->nBasis + pRule->nTo - pRule->nFrom]==0 ); in fuzzerRender() 724 || (pStem->nBasis + pRule->nTo - pRule->nFrom)>FUZZER_MX_OUTPUT_LENGTH in fuzzerSkipRule() 737 while( pStem->n < pStem->nBasis - pRule->nFrom ){ in fuzzerAdvance() 881 pNew->nBasis = (fuzzer_len)strlen(zWord); in fuzzerNewStem() 882 memcpy(pNew->zBasis, zWord, pNew->nBasis+1); in fuzzerNewStem() 1008 pStem->n = pStem->nBasis; in fuzzerFilter()
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/dports/databases/sqlcipher/sqlcipher-3.4.2/ext/misc/ |
H A D | fuzzer.c | 221 fuzzer_len nBasis; /* Length of the zBasis string */ member 621 n = pStem->nBasis + pRule->nTo - pRule->nFrom; in fuzzerRender() 630 memcpy(z, pStem->zBasis, pStem->nBasis+1); in fuzzerRender() 635 pStem->nBasis-n-pRule->nFrom+1); in fuzzerRender() 638 assert( z[pStem->nBasis + pRule->nTo - pRule->nFrom]==0 ); in fuzzerRender() 722 || (pStem->nBasis + pRule->nTo - pRule->nFrom)>FUZZER_MX_OUTPUT_LENGTH in fuzzerSkipRule() 735 while( pStem->n < pStem->nBasis - pRule->nFrom ){ in fuzzerAdvance() 879 pNew->nBasis = (fuzzer_len)strlen(zWord); in fuzzerNewStem() 880 memcpy(pNew->zBasis, zWord, pNew->nBasis+1); in fuzzerNewStem() 1006 pStem->n = pStem->nBasis; in fuzzerFilter()
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/dports/www/qt5-webengine/qtwebengine-everywhere-src-5.15.2/src/3rdparty/chromium/third_party/sqlite/src/ext/misc/ |
H A D | fuzzer.c | 221 fuzzer_len nBasis; /* Length of the zBasis string */ member 623 n = pStem->nBasis + pRule->nTo - pRule->nFrom; in fuzzerRender() 632 memcpy(z, pStem->zBasis, pStem->nBasis+1); in fuzzerRender() 637 pStem->nBasis-n-pRule->nFrom+1); in fuzzerRender() 640 assert( z[pStem->nBasis + pRule->nTo - pRule->nFrom]==0 ); in fuzzerRender() 724 || (pStem->nBasis + pRule->nTo - pRule->nFrom)>FUZZER_MX_OUTPUT_LENGTH in fuzzerSkipRule() 737 while( pStem->n < pStem->nBasis - pRule->nFrom ){ in fuzzerAdvance() 881 pNew->nBasis = (fuzzer_len)strlen(zWord); in fuzzerNewStem() 882 memcpy(pNew->zBasis, zWord, pNew->nBasis+1); in fuzzerNewStem() 1008 pStem->n = pStem->nBasis; in fuzzerFilter()
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/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/sqlite/src/ext/misc/ |
H A D | fuzzer.c | 221 fuzzer_len nBasis; /* Length of the zBasis string */ member 623 n = pStem->nBasis + pRule->nTo - pRule->nFrom; in fuzzerRender() 632 memcpy(z, pStem->zBasis, pStem->nBasis+1); in fuzzerRender() 637 pStem->nBasis-n-pRule->nFrom+1); in fuzzerRender() 640 assert( z[pStem->nBasis + pRule->nTo - pRule->nFrom]==0 ); in fuzzerRender() 724 || (pStem->nBasis + pRule->nTo - pRule->nFrom)>FUZZER_MX_OUTPUT_LENGTH in fuzzerSkipRule() 737 while( pStem->n < pStem->nBasis - pRule->nFrom ){ in fuzzerAdvance() 881 pNew->nBasis = (fuzzer_len)strlen(zWord); in fuzzerNewStem() 882 memcpy(pNew->zBasis, zWord, pNew->nBasis+1); in fuzzerNewStem() 1008 pStem->n = pStem->nBasis; in fuzzerFilter()
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/dports/databases/db5/db-5.3.28/lang/sql/sqlite/src/ |
H A D | test_fuzzer.c | 146 int nBasis; /* Length of the zBasis string */ member 349 n = pStem->nBasis + pRule->nTo - pRule->nFrom; in fuzzerRender() 358 memcpy(z, pStem->zBasis, pStem->nBasis+1); in fuzzerRender() 363 pStem->nBasis-n-pRule->nFrom+1); in fuzzerRender() 441 while( pStem->n < pStem->nBasis - pRule->nFrom ){ in fuzzerAdvance() 581 pNew->nBasis = strlen(zWord); in fuzzerNewStem() 582 memcpy(pNew->zBasis, zWord, pNew->nBasis+1); in fuzzerNewStem() 690 pStem->n = pStem->nBasis; in fuzzerFilter()
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/dports/math/fricas/fricas-1.3.7/src/algebra/ |
H A D | lingrob.spad | 93 nBasis : List DPoly := [1$DPoly] 127 cordlist : List F := [lm(k) for k in ndim1..ndim1+(#nBasis)] 129 for b in concat(firstmon, nBasis)] 137 nBasis := cons(firstmon, nBasis) 242 nBasis : List DPoly := [1$DPoly] 283 cordlist : List F := [lm(j) for j in ndim1..ndim1+(#nBasis)] 285 for b in concat(firstmon, nBasis)] 292 nBasis := concat(firstmon, nBasis)
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/dports/science/ergo/ergo-3.8/source/dft/ |
H A D | sparse_pattern.cc | 199 int nBasis; in load() local 202 if(fread(&nBasis, sizeof(int), 1, f) != 1) in load() 204 if(nBasis != bis.noOfBasisFuncs) in load() 206 for(int i=0; i<nBasis; i++) { in load()
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/dports/devel/py-cclib/cclib-1.7.1/data/Molcas/basicOpenMolcas18.0/ |
H A D | test_espf.out | 167 Shell nPrim nBasis Cartesian Spherical Contaminant 180 Shell nPrim nBasis Cartesian Spherical Contaminant 193 Shell nPrim nBasis Cartesian Spherical Contaminant 205 Shell nPrim nBasis Cartesian Spherical Contaminant 218 Shell nPrim nBasis Cartesian Spherical Contaminant 231 Shell nPrim nBasis Cartesian Spherical Contaminant 244 Shell nPrim nBasis Cartesian Spherical Contaminant 256 Shell nPrim nBasis Cartesian Spherical Contaminant 269 Shell nPrim nBasis Cartesian Spherical Contaminant
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/dports/audio/lsp-plugins-lv2/lsp-plugins-1.1.31/include/ui/tk/widgets/graph/ |
H A D | LSPText.h | 37 size_t nBasis; member
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/dports/math/fricas/fricas-1.3.7/pre-generated/src/algebra/ |
H A D | LGROBP.lsp | 120 ((|nBasis| (|List| #1=(|DistributedMultivariatePolynomial| |lv| F))) 149 (LETT |nBasis| (LIST (|spadConstant| $ 41))) 270 (LETT #8# (+ |ndim1| (LENGTH |nBasis|))) 284 (LETT #7# (CONS |firstmon| |nBasis|)) 326 (LETT |nBasis| (CONS |firstmon| |nBasis|)))))))) 686 ((|nBasis| (|List| #1=(|DistributedMultivariatePolynomial| |lv| F))) 721 (LETT |nBasis| (LIST (|spadConstant| $ 41))) 884 (LETT #8# (+ |ndim1| (LENGTH |nBasis|))) 898 (LETT #7# (CONS |firstmon| |nBasis|)) 940 (LETT |nBasis| (CONS |firstmon| |nBasis|))))))))
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/dports/science/dakota/dakota-6.13.0-release-public.src-UI/packages/external/DDACE/src/FATools/ |
H A D | Mars.cpp | 40 Mars::Mars(int nInputs, int nSamples, int nBasis, int maxVarPerBasis, in Mars() argument 44 nBasis_(nBasis), in Mars()
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/dports/science/dakota/dakota-6.13.0-release-public.src-UI/packages/external/DDACE/include/ |
H A D | Mars.h | 75 Mars(int nInputs, int nSamples, int nBasis,
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/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_elecsolvers/ |
H A D | elsisolver.F90 | 129 integer :: nBasis component 342 this%nBasis = nBasisFn 370 this%csrBlockSize = this%nBasis / env%mpi%groupComm%size 372 if (this%csrBlockSize * env%mpi%groupComm%size < this%nBasis) then 489 call elsi_init(this%handle, this%solver, this%parallel, this%denseBlacs, this%nBasis,& 505 call elsi_init_rw(this%rwHandle, 1, this%parallel, this%nBasis, this%nElectron) 643 call TElsiCsc_init(this%elsiCsc, env, this%nBasis, this%csrBlockSize, neighList,&
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/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/ |
H A D | gamessukout.cpp | 773 nBasis = static_cast<unsigned int>(gukBasis.nBasisFunctions); in load() local 775 for (unsigned int i = 0; i < nBasis; i++) { in load() 779 moEnd = static_cast<unsigned int>(MOs.size()) + nBasis; in load()
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/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/ |
H A D | gamessukout.cpp | 773 nBasis = static_cast<unsigned int>(gukBasis.nBasisFunctions); in load() local 775 for (unsigned int i = 0; i < nBasis; i++) { in load() 779 moEnd = static_cast<unsigned int>(MOs.size()) + nBasis; in load()
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