Searched refs:dghpsi (Results 1 – 2 of 2) sorted by relevance
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/LCAO/ |
H A D | LCAOrbitalSet.cpp | 205 dghpsi[i][j][0](0, 0) = gh_xxx[j]; //x|xx in evaluate_vghgh_impl() 278 dghpsi[j][0](0, 0) = gh_xxx[j]; //x|xx in evaluate_vghgh_impl() 279 dghpsi[j][0](0, 1) = gh_xxy[j]; //x|xy in evaluate_vghgh_impl() 280 dghpsi[j][0](0, 2) = gh_xxz[j]; //x|xz in evaluate_vghgh_impl() 282 dghpsi[j][0](1, 1) = gh_xyy[j]; //x|yy in evaluate_vghgh_impl() 283 dghpsi[j][0](1, 2) = gh_xyz[j]; //x|yz in evaluate_vghgh_impl() 286 dghpsi[j][0](2, 2) = gh_xzz[j]; //x|zz in evaluate_vghgh_impl() 292 dghpsi[j][1](1, 1) = gh_yyy[j]; //y|yy in evaluate_vghgh_impl() 293 dghpsi[j][1](1, 2) = gh_yyz[j]; //y|yz in evaluate_vghgh_impl() 296 dghpsi[j][1](2, 2) = gh_yzz[j]; //y|zz in evaluate_vghgh_impl() [all …]
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H A D | LCAOrbitalSet.h | 254 GGGVector_t& dghpsi) const;
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