Searched refs:XCFunctionalLDA (Results 1 – 2 of 2) sorted by relevance
| /dports/science/madness/madness-ebb3fd7/src/apps/hf/ |
| H A D | dft.cc | 172 XCFunctionalLDA<T,NDIM>::XCFunctionalLDA(World& world, double coeff, double thresh) in XCFunctionalLDA() function in madness::XCFunctionalLDA
182 Function<T,NDIM> XCFunctionalLDA<T,NDIM>::op_r(const funcT& rho, const funcT& psi) in op_r()
225 _xcfunc = new XCFunctionalLDA<T,NDIM>(world, 1.0, params.thresh); in DFT()
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| H A D | dft.h | 185 class XCFunctionalLDA : public EigSolverOp<T,NDIM>
192 XCFunctionalLDA(World& world, double coeff, double thresh);
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