32 #ifndef HEX_ECS_HLDATA_H 33 #define HEX_ECS_HLDATA_H 37 #include "hex-densematrix.h" 55 void hdflink (
const char * file);
58 bool hdfcheck (
const char * file =
nullptr)
const;
61 bool hdfload (
const char * file =
nullptr);
64 bool hdfsave (
const char * file =
nullptr)
const;
76 ColMatrix<Complex>
Cl;
cArray readPseudoState(unsigned l, unsigned ichan) const
Read a pseudo bound state.
Definition: hldata.cpp:114
RowMatrix< Complex > invsqrtS_Cl
Definition: hldata.h:79
ColMatrix< Complex > Cl
One-electron hamiltonian eigenvectors.
Definition: hldata.h:76
bool hdfcheck(const char *file=nullptr) const
Check that the file exists and can be opened for reading.
Definition: hldata.cpp:39
void drop()
Release memory.
Definition: hldata.cpp:107
std::string filename
Filename.
Definition: hldata.h:82
One-electron diagonalization data.
Definition: hldata.h:50
RowMatrix< Complex > invCl_invsqrtS
Other combinations, used by KPAPreconditioner only.
Definition: hldata.h:79
cArray Dl
One-electron hamiltonian eigenvalues.
Definition: hldata.h:73
bool hdfload(const char *file=nullptr)
Try to load data from a disk file.
Definition: hldata.cpp:46
void hdflink(const char *file)
Link the structure to a disk file.
Definition: hldata.cpp:34
bool hdfsave(const char *file=nullptr) const
Save data to disk.
Definition: hldata.cpp:80