32 #if !defined(_GRID_STREAM_H_) 33 #define _GRID_STREAM_H_ 1 44 Dft::SparsePattern *pattern);
ErgoGridStream * grid_stream_new(const struct Dft::GridParams &ggs, const GridGenMolInfo &molInfo)
Creates the grid object.
Definition: grid_stream.cc:999
unsigned grid_stream_generate(ErgoGridStream *stream, const char *fname, int noOfThreads)
Generate grid for given molecule.
Definition: grid_stream.cc:1033
A structure describing the grid settings.
Definition: grid_params.h:59
Declares a sparse matrix optimized for the XC code.
void grid_stream_free(ErgoGridStream *stream)
Definition: grid_stream.cc:1064
Code organizing various settings related to grids used for numerical integration. ...
Ergo-specific GridStream implementation.
Definition: grid_stream.cc:973
GridGenMolInfo is an abstract class providing information about the molecule so that the grid generat...
Definition: grid_interface.h:45
void grid_stream_set_sparse_pattern(ErgoGridStream *stream, Dft::SparsePattern *pattern)
Definition: grid_stream.cc:1020