Class to compute terms of the kernel. More...
#include <xcfunctional.h>
Collaboration diagram for madness::xc_kernel_apply:
Public Member Functions | |
| xc_kernel_apply (const XCfunctional &xc, int ispin) | |
| std::size_t | get_result_size () const |
| std::vector< madness::Tensor< double > > | operator() (const madness::Key< 3 > &key, const std::vector< madness::Tensor< double > > &t) const |
Public Attributes | |
| const FunctionCommonData< double, 3 > & | cdata |
| const int | ispin |
| const XCfunctional * | xc |
Detailed Description
Class to compute terms of the kernel.
Constructor & Destructor Documentation
◆ xc_kernel_apply()
|
inline |
References ispin, and MADNESS_ASSERT.
Member Function Documentation
◆ get_result_size()
|
inline |
References madness::XCfunctional::is_gga(), and xc.
◆ operator()()
|
inline |
References madness::XCfunctional::fxc_apply(), ispin, MADNESS_ASSERT, and xc.
Member Data Documentation
◆ cdata
| const FunctionCommonData<double,3>& madness::xc_kernel_apply::cdata |
◆ ispin
| const int madness::xc_kernel_apply::ispin |
Referenced by xc_kernel_apply(), and operator()().
◆ xc
| const XCfunctional* madness::xc_kernel_apply::xc |
Referenced by get_result_size(), and operator()().
The documentation for this struct was generated from the following file:
