MADNESS  0.10.1
Classes | Namespaces
xcfunctional.h File Reference
#include <madness/madness_config.h>
#include <madness/tensor/tensor.h>
#include <vector>
#include <algorithm>
#include <utility>
#include <madness/mra/key.h>
#include <madness/world/MADworld.h>
#include <madness/mra/function_common_data.h>
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Classes

struct  madness::xc_functional
 Class to compute the energy functional. More...
 
struct  madness::xc_kernel_apply
 Class to compute terms of the kernel. More...
 
struct  madness::xc_lda_potential
 Compute the spin-restricted LDA potential using unaryop (only for the initial guess) More...
 
struct  madness::xc_potential
 Class to compute terms of the potential. More...
 
class  madness::XCfunctional
 Simplified interface to XC functionals. More...
 

Namespaces

 madness
 File holds all helper structures necessary for the CC_Operator and CC2 class.