MADNESS
0.10.1
apps
molresponse
Namespaces
|
Functions
x_space.cc File Reference
#include "
x_space.h
"
#include "
response_functions.h
"
Include dependency graph for x_space.cc:
Namespaces
namespace
madness
Namespace for all elements and tools of MADNESS.
Functions
void
madness::copyToResponseSpace
(const
vector_real_function_3d
&rf,
response_space
&chi)
vector_real_function_3d
madness::copyToVector
(const
response_space
&chi)
vector_real_function_3d
madness::copyToVector
(const
X_space
&chi)
void
madness::copyToXspace
(const
vector_real_function_3d
&rf,
X_space
&chi)
auto
madness::create_response_matrix
(const size_t &num_states, const size_t &num_orbitals) ->
response_matrix
Create a response matrix object.
auto
madness::inner
(const
X_space
&
A
, const
X_space
&
B
) ->
Tensor
< double >
Computes the matrix elements between two response spaces.
auto
madness::to_conjugate_response_matrix
(const
X_space
&x) ->
response_matrix
auto
madness::to_conjugate_X_space
(const
response_matrix
&x) ->
X_space
response_matrix [x,y] -> Xspace X.x=y X.y=conjugate(x)
auto
madness::to_flattened_vector
(const
X_space
&x) ->
vector_real_function_3d
Flattens all response functions into a single vector of functions.
auto
madness::to_response_matrix
(const
X_space
&x) ->
response_matrix
auto
madness::to_response_vector
(const
vector_real_function_3d
&
vec
) ->
vector_real_function_3d
auto
madness::to_X_space
(const
response_matrix
&x) ->
X_space
auto
madness::transposeResponseMatrix
(const
response_matrix
&x) ->
response_matrix
Generated on Fri Jul 11 2025 02:40:58 for MADNESS by
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