Searched refs:gh_yzz (Results 1 – 2 of 2) sorted by relevance
| /dports/science/qmcpack/qmcpack-3.11.0/src/spline2/ |
| H A D | MultiBsplineVGHGH.hpp | 82 T* restrict gh_yzz = ghess + 8 * out_offset; in evaluate_vghgh_impl() local
104 std::fill(gh_yzz, gh_yzz + num_splines, T()); in evaluate_vghgh_impl()
129 … gh_xxz, gh_xyy, gh_xyz, gh_xzz, gh_yyy, gh_yyz, gh_yzz, gh_zzz, vals: QMC_SIMD_ALIGNMENT) in evaluate_vghgh_impl()
150 gh_yzz[n] += pre01 * sum2; in evaluate_vghgh_impl()
188 gh_yyy, gh_yyz, gh_yzz, gh_zzz: QMC_SIMD_ALIGNMENT) in evaluate_vghgh_impl()
209 gh_yzz[n] *= dyzz; in evaluate_vghgh_impl()
|
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/LCAO/ |
| H A D | LCAOrbitalSet.cpp | 189 const ValueType* restrict gh_yzz = temp.data(18); in evaluate_vghgh_impl() local
223 dghpsi[i][j][1](2, 2) = gh_yzz[j]; //y|zz in evaluate_vghgh_impl()
230 dghpsi[i][j][2](1, 2) = gh_yzz[j]; //z|yz = yzz in evaluate_vghgh_impl()
232 dghpsi[i][j][2](2, 1) = gh_yzz[j]; //z|zy = yzz in evaluate_vghgh_impl()
262 const ValueType* restrict gh_yzz = temp.data(18); in evaluate_vghgh_impl() local
296 dghpsi[j][1](2, 2) = gh_yzz[j]; //y|zz in evaluate_vghgh_impl()
303 dghpsi[j][2](1, 2) = gh_yzz[j]; //z|yz = yzz in evaluate_vghgh_impl()
305 dghpsi[j][2](2, 1) = gh_yzz[j]; //z|zy = yzz in evaluate_vghgh_impl()
483 const ValueType* restrict gh_yzz = temp.data(18); in evaluate_ionderiv_vgl_impl() local
504 dlpsi[i][j][1] = -(gh_xxy[j] + gh_yyy[j] + gh_yzz[j]); in evaluate_ionderiv_vgl_impl()
|