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Searched refs:nBasis (Results 1 – 25 of 61) sorted by relevance

123

/dports/science/gabedit/GabeditSrc251_300720/src/Spectrum/
H A DNMRSpectrum.c156 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 …]
/dports/cad/opencascade/opencascade-7.6.0/tests/bugs/modalg_5/
H A Dbug25124_211 …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…
H A Dbug25124_111 …\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…
/dports/audio/lsp-plugins-lv2/lsp-plugins-1.1.31/src/ui/tk/widgets/graph/
H A DLSPText.cpp80 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()
/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/
H A DDumpBGW.cpp50 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()
H A DDumpBGW_fluid.cpp182 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()
H A DDumpBGW_internal.h69 std::vector<int> nBasis; //!< number of basis functions per reduced k-point variable
/dports/devel/py-cclib/cclib-1.7.1/cclib/method/
H A Dfragments.py63 nBasis = self.data.nbasis
69 if nBasis != nFragBasis:
109 blockMatrix = numpy.zeros((nBasis,nBasis), "d")
144 self.nbasis = nBasis
/dports/science/berkeleygw/BGW-2.0.0/MeanField/EPM/
H A DeigenStatesMod.f9037 Subroutine EigenStatesInit( eigenStates, nStates, nKP, nBasis, tol, iter ) argument
43 integer, intent(in) :: nStates, nKP, nBasis, iter local
60 eigenStates%maxBasisVectors = nBasis
/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/quantum/
H A DQchemReader.java80 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()
/dports/databases/sqlite3/sqlite-src-3350500/ext/misc/
H A Dfuzzer.c221 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()
/dports/databases/sqlcipher/sqlcipher-3.4.2/ext/misc/
H A Dfuzzer.c221 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()
/dports/www/qt5-webengine/qtwebengine-everywhere-src-5.15.2/src/3rdparty/chromium/third_party/sqlite/src/ext/misc/
H A Dfuzzer.c221 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()
/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/sqlite/src/ext/misc/
H A Dfuzzer.c221 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()
/dports/databases/db5/db-5.3.28/lang/sql/sqlite/src/
H A Dtest_fuzzer.c146 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()
/dports/math/fricas/fricas-1.3.7/src/algebra/
H A Dlingrob.spad93 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)
/dports/science/ergo/ergo-3.8/source/dft/
H A Dsparse_pattern.cc199 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()
/dports/devel/py-cclib/cclib-1.7.1/data/Molcas/basicOpenMolcas18.0/
H A Dtest_espf.out167 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
/dports/audio/lsp-plugins-lv2/lsp-plugins-1.1.31/include/ui/tk/widgets/graph/
H A DLSPText.h37 size_t nBasis; member
/dports/math/fricas/fricas-1.3.7/pre-generated/src/algebra/
H A DLGROBP.lsp120 ((|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|))))))))
/dports/science/dakota/dakota-6.13.0-release-public.src-UI/packages/external/DDACE/src/FATools/
H A DMars.cpp40 Mars::Mars(int nInputs, int nSamples, int nBasis, int maxVarPerBasis, in Mars() argument
44 nBasis_(nBasis), in Mars()
/dports/science/dakota/dakota-6.13.0-release-public.src-UI/packages/external/DDACE/include/
H A DMars.h75 Mars(int nInputs, int nSamples, int nBasis,
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_elecsolvers/
H A Delsisolver.F90129 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,&
/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/
H A Dgamessukout.cpp773 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()
/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/
H A Dgamessukout.cpp773 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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