File DensityMatrixIO.hΒΆ
- Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.
See LICENSE.txt for details.
-
namespace
Scine This header file contains functions that allow for common notation for common things that can be done at a different degree of derivatives.
This header contains alias definitions defining which classes to use for the different degrees of derivatives.
-
namespace
Utils -
class
DensityMatrixIO - #include <DensityMatrixIO.h>
Class to write density matrices to disk or read them from disk, in binary format. TODO: save space and only write and read triangular matrix (since symmetric)? TODO: Make this class employ EigenMatrixIO? NB: then the memory layout would change
Public Static Functions
-
static void
write(const std::string &filename, const DensityMatrix &m) Write the density matrix to disk.
-
static DensityMatrix
read(const std::string &filename) Read a density matrix from the disk.
-
static void
-
class
-
namespace