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Searched refs:kPoints (Results 1 – 25 of 167) sorted by relevance

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/dports/science/berkeleygw/BGW-2.0.0/MeanField/EPM/
H A DkPointsMod.f90118 kPoints%numOccupiedBands = kPoints%numBands
188 allocate(kPoints%kPointsCart(ndim, kPoints%numKPoints), &
189 & kPoints%kPointsLat(ndim, kPoints%numKPoints), &
190 & kPoints%kPointWeights(kPoints%numKPoints), &
264 deallocate(kPoints%kPointsLat, kPoints%kPointsCart, kPoints%kPointWeights, stat=error)
270 nullify( kPoints )
415 allocate(kPoints%kPointsCart(ndim, kPoints%numKPoints), &
416 & kPoints%kPointsLat(ndim, kPoints%numKPoints), &
417 & kPoints%kPointWeights(kPoints%numKPoints), &
448 dk(:,1) = kPoints%kPointsLat(:,i) - kPoints%kPointsLat(:,i-1)
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H A Depm.f9062 nullify(kPoints)
328 kPoints%kPointsLat(:, 2) = kPoints%kPointsLat(:, 2) - dk * md(:,1)
329 kPoints%kPointsLat(:, 3) = kPoints%kPointsLat(:, 3) + dk * md(:,1)
330 kPoints%kPointsLat(:, 4) = kPoints%kPointsLat(:, 4) - dk * md(:,2)
331 kPoints%kPointsLat(:, 5) = kPoints%kPointsLat(:, 5) + dk * md(:,2)
332 kPoints%kPointsLat(:, 6) = kPoints%kPointsLat(:, 6) - dk * md(:,3)
333 kPoints%kPointsLat(:, 7) = kPoints%kPointsLat(:, 7) + dk * md(:,3)
335 kPoints%kPointsLat(:, 9) = kPoints%kPointsLat(:, 9) - dk * md(:,1)
336 kPoints%kPointsLat(:, 10) = kPoints%kPointsLat(:, 10) + dk * md(:,1)
337 kPoints%kPointsLat(:, 11) = kPoints%kPointsLat(:, 11) - dk * md(:,2)
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H A Depm2bgw.f9097 nullify(kPoints)
303 call EigenStatesInit( eigenStates, kPoints%numBands, kPoints%numKPoints, &
457 kw(1:kPoints%numKPoints)=kPoints%kPointWeights(1:kPoints%numKPoints)
458 kpt(1:3,1:kPoints%numKPoints)=kPoints%kPointsLat(1:3,1:kPoints%numKPoints)
463 ifmax(1:kPoints%numKPoints,1:nspin)=kPoints%numOccupiedBands
467 SAFE_ALLOCATE(energies, (kPoints%numBands, kPoints%numKPoints, nspin))
481 SAFE_ALLOCATE(occupations, (kPoints%numBands, kPoints%numKPoints, nspin))
539 kPoints%numKPoints, kPoints%numBands, eigenStates%maxBasisVectors, &
620 kPoints%numKPoints, kPoints%numBands, eigenStates%maxBasisVectors, &
677 kPoints%numKPoints, kPoints%numBands, eigenStates%maxBasisVectors, &
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H A DpwHamMod.f90230 Subroutine FindhMaxSize( hamInfo, struct, kPoints ) argument
245 type( kPointsT ), pointer :: kPoints local
256 do k = 1, kPoints%numKPoints
280 if(hSize < kPoints%numBands) then
320 type( kPointsT ), pointer :: kPoints local
406 type( kPointsT ), pointer :: kPoints local
472 if(hSize < kPoints%numBands) then
511 type( kPointsT ), pointer :: kPoints local
523 do k = 1, kPoints%numKPoints
524 do n = 1, kPoints%numOccupiedBands
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/detail/CUDA_legacy/
H A DPhaseFactors.h6 void apply_phase_factors(float kPoints[],
14 void apply_phase_factors(float kPoints[],
25 void apply_phase_factors(float kPoints[],
37 void apply_phase_factors(double kPoints[],
45 void apply_phase_factors(double kPoints[],
56 void apply_phase_factors(double kPoints[],
71 void apply_phase_factors(float kPoints[],
78 void apply_phase_factors(double kPoints[],
85 void apply_phase_factors(float kPoints[],
95 void apply_phase_factors(double kPoints[],
H A DPhaseFactors.cu377 kPoints_s[0] = kPoints[off*3 ]; in phase_factor_kernel()
378 kPoints_s[1] = kPoints[off*3+1]; in phase_factor_kernel()
379 kPoints_s[2] = kPoints[off*3+2]; in phase_factor_kernel()
622 void phase_factor_kernel (T *kPoints, in phase_factor_kernel() argument
656 kPoints_s[0] = kPoints[off*3 ]; in phase_factor_kernel()
657 kPoints_s[1] = kPoints[off*3+1]; in phase_factor_kernel()
658 kPoints_s[2] = kPoints[off*3+2]; in phase_factor_kernel()
677 void phase_factor_kernel (T *kPoints, in phase_factor_kernel() argument
715 kPoints_s[0] = kPoints[off*3 ]; in phase_factor_kernel()
716 kPoints_s[1] = kPoints[off*3+1]; in phase_factor_kernel()
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/
H A DMomentumEstimator.cpp41 const int nk = kPoints.size(); in evaluate()
227 kPoints.push_back(kpt); in putSpecial()
333 kPoints.push_back(kpt); in putSpecial()
341 kPoints.push_back(kpt); in putSpecial()
402 float khere(std::sqrt(dot(kPoints[i], kPoints[i]))); in putSpecial()
410 nofK.resize(kPoints.size()); in putSpecial()
411 kdotp.resize(kPoints.size()); in putSpecial()
413 phases.resize(kPoints.size()); in putSpecial()
427 myclone->resize(kPoints, M); in makeClone()
437 kPoints = kin; in resize()
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/dports/science/libkml/libkml-1.3.0/tests/kml/convenience/
H A Dfeature_list_test.cc49 } kPoints[] = { variable
94 if (bbox.Contains(kPoints[i].lat, kPoints[i].lon)) { in CountPointsInBbox()
104 initial_input_point_count_ = sizeof(kPoints)/sizeof(kPoints[0]); in CreateFeatureList()
107 kPoints[i].lat, in CreateFeatureList()
108 kPoints[i].lon)); in CreateFeatureList()
114 initial_input_bbox_.ExpandLatLon(kPoints[i].lat, kPoints[i].lon); in CreateFeatureList()
148 ASSERT_EQ(lat, kPoints[i].lat); in TEST_F()
149 ASSERT_EQ(lon, kPoints[i].lon); in TEST_F()
/dports/devel/spark/spark-2.1.1/examples/src/main/scala/org/apache/spark/examples/
H A DLocalKMeans.scala80 var kPoints = new HashMap[Int, Vector[Double]] variable
89 kPoints.put(i, iter.next())
92 println("Initial centers: " + kPoints)
95 var closest = data.map (p => (closestPoint(p, kPoints), (p, 1)))
110 tempDist += squaredDistance(kPoints.get(mapping._1).get, mapping._2)
114 kPoints.put(newP._1, newP._2)
118 println("Final centers: " + kPoints)
H A DSparkKMeans.scala79 val kPoints = data.takeSample(withReplacement = false, K, 42) constant
83 val closest = data.map (p => (closestPoint(p, kPoints), (p, 1)))
92 tempDist += squaredDistance(kPoints(i), newPoints(i))
96 kPoints(newP._1) = newP._2
102 kPoints.foreach(println)
/dports/science/libkml/libkml-1.3.0/tests/kml/engine/
H A Dbbox_test.cc128 } kPoints[] = { in TEST_F() local
155 for (size_t i = 0; i < sizeof(kPoints)/sizeof(kPoints[0]); ++i) { in TEST_F()
156 bbox.ExpandLatLon(kPoints[i].lat, kPoints[i].lon); in TEST_F()
173 for (size_t i = 0; i < sizeof(kPoints)/sizeof(kPoints[0]); ++i) { in TEST_F()
174 ASSERT_TRUE(bbox.Contains(kPoints[i].lat, kPoints[i].lon)); in TEST_F()
/dports/devel/spark/spark-2.1.1/examples/src/main/python/
H A Dkmeans.py68 kPoints = data.takeSample(False, K, 1) variable
73 lambda p: (closestPoint(p, kPoints), (p, 1)))
79 tempDist = sum(np.sum((kPoints[iK] - p) ** 2) for (iK, p) in newPoints)
82 kPoints[iK] = p
84 print("Final centers: " + str(kPoints))
/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/tcmalloc/chromium/src/tests/
H A Dtcmalloc_large_unittest.cc70 static const size_t kPoints = 1024; in TryAllocMightFail() local
72 for ( size_t i = 0; i < kPoints; ++i ) { in TryAllocMightFail()
73 vp[i * (size / kPoints)] = static_cast<unsigned char>(i); in TryAllocMightFail()
76 for ( size_t i = 0; i < kPoints; ++i ) { in TryAllocMightFail()
77 CHECK(vp[i * (size / kPoints)] == static_cast<unsigned char>(i)); in TryAllocMightFail()
/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/tcmalloc/vendor/src/tests/
H A Dtcmalloc_large_unittest.cc70 static const size_t kPoints = 1024; in TryAllocMightFail() local
72 for ( size_t i = 0; i < kPoints; ++i ) { in TryAllocMightFail()
73 vp[i * (size / kPoints)] = static_cast<unsigned char>(i); in TryAllocMightFail()
76 for ( size_t i = 0; i < kPoints; ++i ) { in TryAllocMightFail()
77 CHECK(vp[i * (size / kPoints)] == static_cast<unsigned char>(i)); in TryAllocMightFail()
/dports/devel/google-perftools/gperftools-2.9.1/src/tests/
H A Dtcmalloc_large_unittest.cc71 static const size_t kPoints = 1024; in TryAllocMightFail() local
73 for ( size_t i = 0; i < kPoints; ++i ) { in TryAllocMightFail()
74 p[i * (size / kPoints)] = static_cast<unsigned char>(i); in TryAllocMightFail()
77 for ( size_t i = 0; i < kPoints; ++i ) { in TryAllocMightFail()
78 CHECK(p[i * (size / kPoints)] == static_cast<unsigned char>(i)); in TryAllocMightFail()
/dports/www/qt5-webengine/qtwebengine-everywhere-src-5.15.2/src/3rdparty/chromium/third_party/skia/gm/
H A Dflippity.cpp50 static const SkPoint kPoints[kNumLabels] = { variable
128 0.0 != kPoints[i].fX ? kPoints[i].fX-kLabelSize-kInset : kInset, in make_reference_image()
129 0.0 != kPoints[i].fY ? kPoints[i].fY-kLabelSize-kInset : kInset); in make_reference_image()
214 0.0f == kPoints[i].fX ? -kLabelSize : kPoints[i].fX, in drawImageWithMatrixAndLabels()
215 0.0f == kPoints[i].fY ? -kLabelSize : kPoints[i].fY); in drawImageWithMatrixAndLabels()
/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/skia/gm/
H A Dflippity.cpp51 static const SkPoint kPoints[kNumLabels] = { variable
129 0.0 != kPoints[i].fX ? kPoints[i].fX-kLabelSize-kInset : kInset, in make_reference_image()
130 0.0 != kPoints[i].fY ? kPoints[i].fY-kLabelSize-kInset : kInset); in make_reference_image()
211 0.0f == kPoints[i].fX ? -kLabelSize : kPoints[i].fX, in drawImageWithMatrixAndLabels()
212 0.0f == kPoints[i].fY ? -kLabelSize : kPoints[i].fY); in drawImageWithMatrixAndLabels()
/dports/www/qt5-webengine/qtwebengine-everywhere-src-5.15.2/src/3rdparty/chromium/third_party/blink/renderer/core/css/cssom/
H A Dcss_unit_value_test.cc29 EXPECT_NEAR(72, pxValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
53 EXPECT_NEAR(72, cmValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
77 EXPECT_NEAR(72, mmValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
101 EXPECT_NEAR(72, inValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
113 CSSUnitValue::Create(72, CSSPrimitiveValue::UnitType::kPoints); in TEST()
125 EXPECT_NEAR(72, ptValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
149 EXPECT_NEAR(72, pcValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
173 EXPECT_NEAR(72, qValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/blink/renderer/core/css/cssom/
H A Dcss_unit_value_test.cc29 EXPECT_NEAR(72, pxValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
53 EXPECT_NEAR(72, cmValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
77 EXPECT_NEAR(72, mmValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
101 EXPECT_NEAR(72, inValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
113 CSSUnitValue::Create(72, CSSPrimitiveValue::UnitType::kPoints); in TEST()
125 EXPECT_NEAR(72, ptValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
149 EXPECT_NEAR(72, pcValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
173 EXPECT_NEAR(72, qValue->to(CSSPrimitiveValue::UnitType::kPoints)->value(), in TEST()
/dports/science/dftbplus/dftbplus-19.1/prog/waveplot/
H A Dmolorb.F90231 real(dp), save :: kPoints(3,0) local
253 &self%latVecs, self%recVecs2p, kPoints, kIndexes, self%nCell, &
261 &eigVecsCmpl, kPoints, kIndexes, valueOnGrid) argument
276 real(dp), intent(in) :: kPoints(:,:) local
294 @:ASSERT(size(kPoints, dim=1) == 3)
295 @:ASSERT(size(kPoints, dim=2) > 0)
297 @:ASSERT(maxval(kIndexes) <= size(kPoints, dim=2))
303 &self%latVecs, self%recVecs2p, kPoints, kIndexes, self%nCell, &
314 &tReal, latVecs, recVecs2p, kPoints, kIndexes, nCell, cellVec, & argument
366 real(dp), intent(in) :: kPoints(:,:) local
[all …]
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/BsplineFactory/
H A DBsplineSet.h51 std::vector<SPOSet::PosType> kPoints; variable
68 kPoints.resize(n); in init_base()
78 std::vector<SPOSet::PosType> k_copy(kPoints); in remap_kpoints()
79 const int nk = kPoints.size(); in remap_kpoints()
86 kPoints[nCB] = k_copy[i]; in remap_kpoints()
95 kPoints[nRealBands] = k_copy[i]; in remap_kpoints()
H A DSplineC2C.h106 const int Nbands = kPoints.size(); in gather_tables()
130 const size_t nk = kPoints.size(); in resize_kpoints()
135 mKK[i] = -dot(kPoints[i], kPoints[i]); in resize_kpoints()
136 myKcart(i) = kPoints[i]; in resize_kpoints()
H A DSplineC2R.h110 const int Nbands = kPoints.size(); in gather_tables()
140 int nk = kPoints.size(); in resize_kpoints()
145 mKK[i] = -dot(kPoints[i], kPoints[i]); in resize_kpoints()
146 myKcart(i) = kPoints[i]; in resize_kpoints()
H A DSplineR2R.cpp56 last = last > kPoints.size() ? kPoints.size() : last; in assign_v()
101 const int last_real = kPoints.size() < last ? kPoints.size() : last; in evaluateDetRatios()
133 last = last > kPoints.size() ? kPoints.size() : last; in assign_vgl()
215 last = last > kPoints.size() ? kPoints.size() : last; in assign_vgh()
299 last = last < 0 ? kPoints.size() : (last > kPoints.size() ? kPoints.size() : last); in assign_vghgh()
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_extlibs/
H A Dnegf_int.F901042 real(dp), intent(in) :: kPoints(:,:) variable
1104 call foldToCSR(csrOver, over, kPoints(:,ik), iAtomStart, iPair, iNeighbor, nNeighbor,&
1190 real(dp), intent(in) :: kPoints(:,:) variable
1243 call foldToCSR(csrOver, over, kPoints(:,ik), iAtomStart, iPair, iNeighbor, nNeighbor,&
1277 & img2CentCell, iCellVec, cellVec, orb, kPoints, kWeights, tunnMat, currMat, ldosMat,& argument
1322 real(dp), intent(in) :: kPoints(:,:) variable
1404 if (all(kPoints(:,iK) .eq. 0.0_dp) .and. &
1629 real(dp), intent(in) :: kPoints(:,:) local
1703 real(dp), intent(in) :: kPoints(:,:) local
1814 real(dp), intent(in) :: kPoints(:,:), kWeights(:) variable
[all …]

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