Home
last modified time | relevance | path

Searched refs:dghpsi (Results 1 – 2 of 2) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/LCAO/
H A DLCAOrbitalSet.cpp205 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 …]
H A DLCAOrbitalSet.h254 GGGVector_t& dghpsi) const;