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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/BsplineFactory/
H A DSplineC2R.cpp723 const ST* restrict gh122 = mygH.data(8); in assign_vghgh() local
824 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g00, g01, g02); in assign_vghgh()
826 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g10, g11, g12); in assign_vghgh()
828 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g20, g21, g22); in assign_vghgh()
830 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g10, g11, g12, g10, g11, g12); in assign_vghgh()
832 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g10, g11, g12, g20, g21, g22); in assign_vghgh()
834 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g20, g21, g22, g20, g21, g22); in assign_vghgh()
836 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g10, g11, g12, g10, g11, g12); in assign_vghgh()
838 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g10, g11, g12, g20, g21, g22); in assign_vghgh()
840 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g20, g21, g22, g20, g21, g22); in assign_vghgh()
[all …]
H A DSplineR2R.cpp324 const ST* restrict gh122 = mygH.data(8); in assign_vghgh() local
375 … gh122[j], gh222[j], g00, g01, g02, g00, g01, g02, g00, g01, g02); in assign_vghgh()
377 … gh122[j], gh222[j], g00, g01, g02, g00, g01, g02, g10, g11, g12); in assign_vghgh()
379 … gh122[j], gh222[j], g00, g01, g02, g00, g01, g02, g20, g21, g22); in assign_vghgh()
381 … gh122[j], gh222[j], g00, g01, g02, g10, g11, g12, g10, g11, g12); in assign_vghgh()
383 … gh122[j], gh222[j], g00, g01, g02, g10, g11, g12, g20, g21, g22); in assign_vghgh()
385 … gh122[j], gh222[j], g00, g01, g02, g20, g21, g22, g20, g21, g22); in assign_vghgh()
387 … gh122[j], gh222[j], g10, g11, g12, g10, g11, g12, g10, g11, g12); in assign_vghgh()
389 … gh122[j], gh222[j], g10, g11, g12, g10, g11, g12, g20, g21, g22); in assign_vghgh()
391 … gh122[j], gh222[j], g10, g11, g12, g20, g21, g22, g20, g21, g22); in assign_vghgh()
[all …]
H A DSplineC2C.cpp480 const ST* restrict gh122 = mygH.data(8); in assign_vghgh() local
566 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g00, g01, g02); in assign_vghgh()
568 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g10, g11, g12); in assign_vghgh()
570 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g20, g21, g22); in assign_vghgh()
572 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g10, g11, g12, g10, g11, g12); in assign_vghgh()
574 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g10, g11, g12, g20, g21, g22); in assign_vghgh()
576 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g20, g21, g22, g20, g21, g22); in assign_vghgh()
578 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g10, g11, g12, g10, g11, g12); in assign_vghgh()
580 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g10, g11, g12, g20, g21, g22); in assign_vghgh()
582 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g20, g21, g22, g20, g21, g22); in assign_vghgh()
[all …]
H A DSplineC2ROMPTarget.cpp1291 const ST* restrict gh122 = mygH.data(8); in assign_vghgh() local
1392 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g00, g01, g02); in assign_vghgh()
1394 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g10, g11, g12); in assign_vghgh()
1396 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g20, g21, g22); in assign_vghgh()
1398 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g10, g11, g12, g10, g11, g12); in assign_vghgh()
1400 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g10, g11, g12, g20, g21, g22); in assign_vghgh()
1402 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g20, g21, g22, g20, g21, g22); in assign_vghgh()
1404 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g10, g11, g12, g10, g11, g12); in assign_vghgh()
1406 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g10, g11, g12, g20, g21, g22); in assign_vghgh()
1408 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g20, g21, g22, g20, g21, g22); in assign_vghgh()
[all …]
H A DSplineC2COMPTarget.cpp1028 const ST* restrict gh122 = mygH.data(8); in assign_vghgh() local
1114 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g00, g01, g02); in assign_vghgh()
1116 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g10, g11, g12); in assign_vghgh()
1118 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g00, g01, g02, g20, g21, g22); in assign_vghgh()
1120 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g10, g11, g12, g10, g11, g12); in assign_vghgh()
1122 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g10, g11, g12, g20, g21, g22); in assign_vghgh()
1124 … gh112[jr], gh122[jr], gh222[jr], g00, g01, g02, g20, g21, g22, g20, g21, g22); in assign_vghgh()
1126 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g10, g11, g12, g10, g11, g12); in assign_vghgh()
1128 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g10, g11, g12, g20, g21, g22); in assign_vghgh()
1130 … gh112[jr], gh122[jr], gh222[jr], g10, g11, g12, g20, g21, g22, g20, g21, g22); in assign_vghgh()
[all …]
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/LCAO/
H A DSoaCartesianTensor.h1254 gh122[78] = 2 * x3; in evaluateVGHGH()
1362 gh122[68] = 8 * y3; in evaluateVGHGH()
1395 gh122[64] = 20 * z3; in evaluateVGHGH()
1458 gh122[55] = 4 * x * y; in evaluateVGHGH()
1472 gh122[54] = 2 * x2; in evaluateVGHGH()
1549 gh122[47] = 6 * y2; in evaluateVGHGH()
1582 gh122[43] = 12 * z2; in evaluateVGHGH()
1642 gh122[34] = 2 * x; in evaluateVGHGH()
1672 gh122[31] = 4 * y; in evaluateVGHGH()
1694 gh122[28] = 6 * z; in evaluateVGHGH()
[all …]