30 #if !defined(_GRID_STREAM_H_)
31 #define _GRID_STREAM_H_ 1
42 Dft::SparsePattern *pattern);
ErgoGridStream * grid_stream_new(const struct Dft::GridParams &ggs, const GridGenMolInfo &molInfo)
Creates the grid object.
Definition: grid_stream.cc:985
unsigned grid_stream_generate(ErgoGridStream *stream, const char *fname, int noOfThreads)
Generate grid for given molecule.
Definition: grid_stream.cc:1019
A structure describing the grid settings.
Definition: grid_params.h:49
Declares a sparse matrix optimized for the XC code.
void grid_stream_free(ErgoGridStream *stream)
Definition: grid_stream.cc:1050
Ergo-specific GridStream implementation.
Definition: grid_stream.cc:959
GridGenMolInfo is an abstract class providing information about the molecule so that the grid generat...
Definition: grid_interface.h:43
void grid_stream_set_sparse_pattern(ErgoGridStream *stream, Dft::SparsePattern *pattern)
Definition: grid_stream.cc:1006