/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/ |
H A D | DumpChargedDefects.cpp | 15 { int jDir = (iDir+1)%3; in planarAvg_sub() 16 int kDir = (iDir+2)%3; in planarAvg_sub() 47 if(dist*2 > S[iDir]) dist -= S[iDir]; in fixBoundary_sub() 48 if(dist*2 < -S[iDir]) dist += S[iDir]; in fixBoundary_sub() 55 int iBoundary = int(round((xCenter[iDir]+0.5) * gInfo.S[iDir])); in fixBoundarySmooth() 75 int iDir = e.coulombParams.iDir; in dump() local 97 for(iR[iDir]=0; iR[iDir]<e.gInfo.S[iDir]; iR[iDir]++) in dump() 339 for(iR[iDir]=0; iR[iDir]<e.gInfo.S[iDir]; iR[iDir]++) in dump() 410 truncatedParams.iDir = iDir; in dump() 479 for(int iDir=0; iDir<3; iDir++) in dump() local [all …]
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H A D | DumpSIC.cpp | 38 for(int iDir=0; iDir<3; iDir++) in operator ()() local 39 DC[iDir] = D(e->eVars.C[q], iDir); in operator ()() 80 for(int iDir=0; iDir<3; iDir++) in calcSelfInteractionError() local 81 KEdensity[0] += 0.5 * diagouterI(eye(1), DC[iDir].getSub(n,n+1), 1, &e->gInfo)[0]; in calcSelfInteractionError()
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H A D | DumpBGW.cpp | 65 for(int iDir=0; iDir<3; iDir++) in BGW() local 66 { kOffset[q][iDir] = int(floor(k[q][iDir])); in BGW() 67 k[q][iDir] -= kOffset[q][iDir]; in BGW() 78 for(int iDir=0; iDir<3; iDir++) in BGW() 79 if(2*iGrho[i][iDir]==gInfo.S[iDir]) in BGW() 80 iGrho[i][iDir]-=gInfo.S[iDir]; //[-S/2,S/2) in BGW (rather than (-S/2,S/2] in JDFTx) in BGW() 174 { for(int iDir=0; iDir<3; iDir++) in writeVxc() local 175 HCq -= (0.5*gInfo.dV) * D(Idag_DiagV_I(D(eVars.C[q],iDir), eVars.Vtau), iDir); in writeVxc()
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/dports/science/jdftx/jdftx-1.6.0/jdftx/core/ |
H A D | CoulombWire.cpp | 32 if((!WignerSeitz::isOrthogonal(gInfo.R.column(iDir),gInfo.R.column((iDir+1)%3))) in checkOrthogonality() 33 || (!WignerSeitz::isOrthogonal(gInfo.R.column(iDir),gInfo.R.column((iDir+2)%3))) ) in checkOrthogonality() 127 int iDir; //!< truncated direction member in EwaldWire 141 …: R(R), G((2*M_PI)*inv(R)), RTR((~R)*R), GGT(G*(~G)), iDir(iDir), ws(ws), ionMargin(ionMargin), Rc… in EwaldWire() 148 sigma = sqrt(10.*R.column(iDir).length() / G.row(iDir).length()); in EwaldWire() 167 for(iG[iDir]=0; iG[iDir]<=Nrecip[iDir]; iG[iDir]++) in EwaldWire() 199 for(iR[iDir]=-Nreal[iDir]; iR[iDir]<=Nreal[iDir]; iR[iDir]++) in energyAndGrad() 214 double Lz = sqrt(RTR(iDir,iDir)); in energyAndGrad() 316 double GaxisSq = GGT(iDir,iDir) * iG[iDir] * iG[iDir]; in setVcylindrical() 326 if(iG[iDir]) in setVcylindrical() [all …]
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H A D | CoulombSlab.cpp | 29 int iDir; //!< truncated direction member in EwaldSlab 36 …waldSlab(const matrix3<>& R, int iDir, double ionMargin) : R(R), G((2*M_PI)*inv(R)), RTR((~R)*R), … in EwaldSlab() argument 45 if(k != iDir) in EwaldSlab() 80 pos0[iDir] = atoms[0].pos[iDir]; in energyAndGrad() 107 double L = sqrt(RTR(iDir,iDir)); //length of truncated direction in energyAndGrad() 115 double z12 = L * r12[iDir]; in energyAndGrad() 148 E12_r12[iDir] += prefac * c * zTermPrime * L; in energyAndGrad() 189 { int iDir = params.iDir; in apply() local 190 double hlfL = 0.5*sqrt(gInfo.RTR(iDir,iDir)); in apply() 200 { int iDir = params.iDir; in getLatticeGradient() local [all …]
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H A D | Coulomb_internal.h | 52 { int iDir; double hlfL; member 53 CoulombSlab_calc(int iDir, double hlfL) : iDir(iDir), hlfL(hlfL) {} in CoulombSlab_calc() 56 double Gplane = Gsq - GGT(iDir,iDir) * iG[iDir]*iG[iDir]; //G along the non-truncated directions in operator() 64 vector3<int> iGplane = iG; iGplane[iDir] = 0.; //iG along non-truncated directions in latticeGradient() 67 double expCosTerm = exp(-Gplane*hlfL) * cos(M_PI*iG[iDir]); in latticeGradient() 72 ((double*)&result)[iDir] = prefac1*iG[iDir]*iG[iDir] + expCosTerm*hlfL*Gplane/GGT(iDir,iDir); in latticeGradient() 77 ((double*)&result)[iDir] = (-4*M_PI)*hlfL*hlfL/GGT(iDir,iDir); in latticeGradient() 259 { int iDir; double hlfL; member 269 …double Gplane = Gsq - GGT(iDir,iDir) * iG[iDir]*iG[iDir]; //G along the non-truncated directions (… in operator() 276 double prefac = iG[iDir] ? 1. : 1./Gplane; in operator() [all …]
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H A D | CoulombKernel.cpp | 204 double rhoMax = ws->circumRadius(iDir); in computePlane() 224 x[iDir] = 0.; in computePlane() 270 vector3<int> iG; iG[iDir] = iPlane; in computePlane() 294 if(si && iv[iDir]) { iv[iDir] = S[iDir] - iv[iDir]; } in computePlane() 326 int iDir = -1; in computeWire() local 330 iDir = k; //axis is along untruncated direction in computeWire() 332 int jDir = (iDir+1)%3; in computeWire() 333 int kDir = (iDir+2)%3; in computeWire() 344 if(k == iDir) Sdense[k] = S[k]; in computeWire() 349 string dirName(3,'0'); dirName[iDir]='1'; in computeWire() [all …]
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H A D | WignerSeitz.h | 83 inline double boundaryDistance(const vector3<>& x, int iDir=-1) const 86 if(iDir<0 || !f->img[iDir]) 97 inline bool onBoundary(const vector3<>& x, int iDir=-1) const 101 if(iDir<0 || !f->img[iDir]) 112 double inRadius(int iDir=-1) const; 116 double circumRadius(int iDir=-1) const;
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H A D | Coulomb_ExchangeEval.cpp | 165 return R.column(iDir).length() //truncated axis length in getAuxiliaryFunctionVzero() 302 for(int iDir=0; iDir<3; iDir++) in ExchangeEval() local 304 strainBasis[iDir](iDir,iDir) = 1.; in ExchangeEval() 305 int jDir = (iDir+1)%3; in ExchangeEval() 306 int kDir = (iDir+2)%3; in ExchangeEval() 308 strainBasis[iDir+3](jDir,kDir) = sqrt(0.5); in ExchangeEval() 309 strainBasis[iDir+3](kDir,jDir) = sqrt(0.5); in ExchangeEval() 355 double L = Rsuper.column(params.iDir).length(); in ExchangeEval() 416 { const vector3<>& Ri = gInfo.R.column(params.iDir); in ExchangeEval() 417 slabCalc.iDir = params.iDir; in ExchangeEval() [all …]
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/dports/science/jdftx/jdftx-1.6.0/jdftx/wannier/ |
H A D | WannierMinimizerFD.cpp | 36 for(int iDir=0; iDir<3; iDir++) if(mask[iDir]) in getFDformula() local 38 for(int jDir=0; jDir<iDir; jDir++) if(mask[jDir]) in getFDformula() 49 for(int iDir=0; iDir<3; iDir++) if(mask[iDir]) in getFDformula() local 50 LhsData[Lhs.index(iEqn++, s)] += b[j][iDir]*b[j][iDir]; in getFDformula() 52 for(int iDir=0; iDir<3; iDir++) if(mask[iDir]) in getFDformula() local 53 { for(int jDir=0; jDir<iDir; jDir++) if(mask[jDir]) in getFDformula() 59 for(int iDir=0; iDir<3; iDir++) if(mask[iDir]) in getFDformula() local 86 for(int iDir=0; iDir<3; iDir++) if(mask[iDir]) in getFDformula() local 91 for(int iDir=0; iDir<3; iDir++) if(mask[iDir]) in getFDformula() local 92 ikBound[iDir] = std::max(2, 1+int(ceil(dkMax * kbasisInvT.column(iDir).length()))); in getFDformula() [all …]
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H A D | WannierMinimizer_phonon.cpp | 67 for(int iDir=0; iDir<3; iDir++) in saveMLWF_phonon() local 68 iR[iDir] = positiveRemainder(iR[iDir], wannier.phononSup[iDir]); in saveMLWF_phonon() 125 for(int iDir=0; iDir<3; iDir++) in saveMLWF_phonon() local 129 { int iMode = 3*iAtom + iDir; in saveMLWF_phonon() 135 const complex* Ddata = DblochMesh[pair.ik1].data() + DblochMesh[pair.ik1].index(0,iDir); in saveMLWF_phonon() 140 + (b1==b2 ? -e.coulombParams.Efield[iDir] : 0.)); //external electric field contribution in saveMLWF_phonon() 144 { int iMode = 3*iAtom + iDir; in saveMLWF_phonon() 166 for (int iDir=0; iDir<3; iDir++) in saveMLWF_phonon() local 167 { if(e.coulombParams.isTruncated()[iDir]) in saveMLWF_phonon() 168 { truncDir = iDir; in saveMLWF_phonon() [all …]
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H A D | WannierMinimizer_save.cpp | 290 for(int iDir=0; iDir<3; iDir++) in saveMLWF_P() local 291 …pBloch[q][iDir] = e.iInfo.rHcommutator(e.eVars.C[q], iDir, e.eVars.Hsub_eigs[q]); //note factor of… in saveMLWF_P() 297 for(int iDir=0; iDir<3; iDir++) in saveMLWF_P() local 298 { matrix pSubDir = pBloch[kMesh[i].point.iReduced + iSpin*qCount][iDir]; in saveMLWF_P() 302 callPref(eblas_copy)(pSub.dataPref()+pSub.index(0,iDir), pSubDir.dataPref(), pSubDir.nData()); in saveMLWF_P() 323 for(int iDir=0; iDir<3; iDir++) in saveMLWF_D() local 324 Dbloch[q][iDir] = e.gInfo.detR * (e.eVars.C[q] ^ D(e.eVars.C[q], iDir)); in saveMLWF_D() 331 for(int iDir=0; iDir<3; iDir++) in saveMLWF_D() local 332 { matrix DsubDir = Dbloch[kMesh[i].point.iReduced + iSpin*qCount][iDir]; in saveMLWF_D() 365 for(int iDir=0; iDir<3; iDir++) in saveMLWF_S() local [all …]
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H A D | WannierMinimizer.h | 225 for(int iDir=0; iDir<3; iDir++) in operator() local 226 qBZ[iDir] -= floor(qBZ[iDir] + 0.5); in operator() 286 for(int iDir=0; iDir<3; iDir++) in operator() local 287 qBZ[iDir] -= floor(qBZ[iDir] + 0.5); in operator()
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/dports/science/jdftx/jdftx-1.6.0/jdftx/phonon/ |
H A D | Phonon.cpp | 403 for(int iDir=0; iDir<3; iDir++) in dgradSymmetrize() local 404 mask.set(iAtom*3+iDir,iDir, 1.); in dgradSymmetrize() 450 for(int iDir=0; iDir<3; iDir++) in forceMatrixGammaPrimeFix() local 481 for(int iDir=0; iDir<3; iDir++) in forceMatrixGammaPrimeFix() local 486 for(int iDir=0; iDir<3; iDir++) in forceMatrixGammaPrimeFix() local 499 for(int iDir=0; iDir<3; iDir++) in forceMatrixGammaPrimeFix() local 511 for(int iDir=0; iDir<3; iDir++) in forceMatrixGammaPrimeFix() local 512 mask.set(iAtom*3+iDir,iDir, 1.); in forceMatrixGammaPrimeFix() 521 for(int iDir=0; iDir<3; iDir++) in forceMatrixGammaPrimeFix() local 574 for(int iDir=0; iDir<3; iDir++) in forceMatrixSumRuleCheck() local [all …]
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/dports/biology/star/STAR-2.7.9a/source/ |
H A D | ReadAlign_mapOneRead.cpp | 52 for (uint iDir=0; iDir<2; iDir++) {//loop over two directions (leftToRight and RightToLeft) in mapOneRead() local 68 uint Shift = iDir==0 ? ( splitR[0][ip] + istart*Lstart + Lmapped ) : \ in mapOneRead() 73 …maxMappableLength2strands(Shift, seedLength, iDir, 0, mapGen.nSA-1, L, splitR[2][ip]);//L=max mapp… in mapOneRead() 74 …if (iDir==0 && istart==0 && Lmapped==0 && Shift+L == splitR[1][ip] ) {//this piece maps full lengt… in mapOneRead() 83 uint Shift = iDir==0 ? ( splitR[0][ip] + istart*Lstart ) : \ in mapOneRead() 85 …uint seedLength = min(P.seedSearchLmax, iDir==0 ? (splitR[0][ip] + splitR[1][ip]-Shift):(Shift+1) … in mapOneRead() 86 …maxMappableLength2strands(Shift, seedLength, iDir, 0, mapGen.nSA-1, L, splitR[2][ip]);//L=max mapp… in mapOneRead()
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/dports/net-mgmt/librenms/librenms-vendor-21.5.1/amenadiel/jpgraph/Examples/ |
H A D | testsuitversus.php | 21 private $iDir; variable in TestDriver 33 $this->iDir = $basePath; 39 $d = @dir($this->iDir); 48 …"PANIC: Apache/PHP does not have enough permission to read the scripts in directory: $this->iDir"); 56 $d = @dir($this->iDir); 71 …"PANIC: Apache/PHP does not have enough permission to read the scripts in directory: $this->iDir"); 79 $d = @dir($this->iDir); 88 …C: Apache/PHP does not have enough permission to read the CSIM scripts in directory: $this->iDir");
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H A D | testsuit.php | 21 private $iDir; variable in TestDriver 32 $this->iDir = $aDir; 37 $d = @dir($this->iDir); 52 …"PANIC: Apache/PHP does not have enough permission to read the scripts in directory: $this->iDir"); 60 $d = @dir($this->iDir); 69 …C: Apache/PHP does not have enough permission to read the CSIM scripts in directory: $this->iDir");
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/dports/devel/rth/rth/jpgraph-1.8/jpgraph-1.18/src/Examples/ |
H A D | testsuit.php | 22 var $iDir; variable in TestDriver 32 $this->iDir = $aDir; 36 $d = dir($this->iDir); 45 …C: Apache/PHP does not have enough permission to read the scripts in directory: $this->iDir"); 52 $d = dir($this->iDir); 61 …ache/PHP does not have enough permission to read the CSIM scripts in directory: $this->iDir");
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/dports/java/eclipse/eclipse.platform.releng.aggregator-R4_16/eclipse.platform.resources/tests/org.eclipse.core.tests.resources/src/org/eclipse/core/tests/filesystem/ |
H A D | SymlinkTest.java | 61 iDir = aDir.fetchInfo(); in fetchFileInfos() 418 oldTime = iDir.getLastModified(); in testSymlinkPutLastModified() 422 iDir = aDir.fetchInfo(); in testSymlinkPutLastModified() 423 assertTrue(iDir.getLastModified() != oldTime); in testSymlinkPutLastModified() 424 assertEquals(iDir.getLastModified(), timeToSet); in testSymlinkPutLastModified() 454 iDir = aDir.fetchInfo(); in testSymlinkPutReadOnly() 459 iDir = aDir.fetchInfo(); in testSymlinkPutReadOnly() 492 iDir = aDir.fetchInfo(); in testSymlinkPutExecutable() 529 iDir = aDir.fetchInfo(); in testSymlinkPutHidden() 560 iDir = aDir.fetchInfo(); in testSymlinkRemove() [all …]
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/dports/graphics/opencv/opencv-4.5.3/contrib/modules/shape/src/ |
H A D | emdL1.cpp | 190 m_EdgesRight[r][c].iDir = 1; in fillBaseTrees() 197 m_EdgesUp[r][c].iDir = 1; in fillBaseTrees() 224 m_3dEdgesUp[r][c][z].iDir = 1; in fillBaseTrees() 508 pNxtE->iDir = !pNxtE->iDir; in initBVTree() 585 m_pEnter->iDir = 1; in isOptimal() 667 pNxtE->iDir = !pNxtE->iDir; in findNewSolution() 700 if(!pE->iDir && pE->flow<minFlow) in findLoopFromEnterBV() 713 if(pE->iDir && pE->flow<minFlow) in findLoopFromEnterBV() 727 if(!pE->iDir && pE->flow<minFlow) in findLoopFromEnterBV() 737 if(pE->iDir && pE->flow<minFlow) in findLoopFromEnterBV() [all …]
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/dports/games/ivan/ivan-059/Main/Source/ |
H A D | hiteffect.cpp | 247 int iDir = setup.GivenDir; in hiteffect() local 249 if(iDir==1)iDir = clock()%2==0 ? 0 : 2; in hiteffect() 250 if(iDir==3)iDir = clock()%2==0 ? 0 : 5; in hiteffect() 251 if(iDir==4)iDir = clock()%2==0 ? 2 : 7; in hiteffect() 252 if(iDir==6)iDir = clock()%2==0 ? 5 : 7; in hiteffect() 254 switch(iDir){ in hiteffect() 259 default: DBGABORT("unsupported iDir %d",iDir); in hiteffect()
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/dports/graphics/pixen/Pixen-0.1/PXFindEdgesFilter/ |
H A D | PXFindEdgesFilter.m | 48 int iNx, iNy, iDir; 49 for (iDir = 0; iDir < 8; iDir++) 51 iNx = iCx + s_aiDx[iDir]; 52 iNy = iCy + s_aiDy[iDir]; 55 iDir = (iDir+1)%8; 85 for (i = 0, iNbr = iDir; i < 8; i++, iNbr = (iNbr+1)%8) 127 iDir = (i+5+iDir)%8;
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/dports/www/free-sa-devel/free-sa-2.0.0b6p7/src/work/ |
H A D | w_fs.c | 163 short int SAgetdirecount(DIR *iDir) { in SAgetdirecount() argument 165 while (readdir(iDir)) retval++; in SAgetdirecount() 170 struct dirent *SAreaddir(DIR *iDir, short int iloc) { in SAreaddir() argument 172 rewinddir(iDir); in SAreaddir() 173 while (--iloc > 0) readdir(iDir); in SAreaddir() 174 return readdir(iDir); in SAreaddir()
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/dports/security/snort/snort-2.9.18/src/preprocessors/HttpInspect/normalization/ |
H A D | hi_norm.c | 1044 int iDir; in DirNorm() local 1088 if(iDir != END_OF_BUFFER) in DirNorm() 1090 if((u_char)iDir == '.') in DirNorm() 1101 if(iDir != END_OF_BUFFER) in DirNorm() 1103 if((u_char)iDir == '/') in DirNorm() 1128 else if((u_char)iDir == '/') in DirNorm() 1267 int iDir; in InspectUriChar() local 1327 if(iDir == DIR_TRAV) in InspectUriChar() 1351 if(iDir == END_OF_BUFFER) in InspectUriChar() 1367 if(ServerConf->non_rfc_chars[(u_char)iDir]) in InspectUriChar() [all …]
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/dports/devel/xparam/xparam-1.22/lib/sources/ |
H A D | xpv_dynamic_loader.cpp | 92 vector<string>::const_iterator iDir; in load() local 93 for (iDir=path.begin(); iDir!=path.end(); ++iDir) { in load() 94 vector<string> mapfiles = get_mapfiles_in(*iDir); in load() 98 string filename = full_path(*iDir,*iFile); in load() 112 full_libname = full_path(*iDir,*iLib); in load()
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