ergo
|
Directories | |
basisset | |
ci | |
densfromf | |
dft | |
electron_dynamics | |
integrals | |
matrix | |
scf | |
test | |
utilities | |
utilities_basic | |
Files | |
bin2m.cc | |
A program for conversion of binary matrix file to a matlab format file. | |
config.h | |
ergo_input_parser.c | |
The lex input parser. | |
ergo_input_processor.c | |
Parses the input. | |
ergo_input_processor.h | |
ergo_scripted.cc | |
The main program for the ergo project. | |
ergo_scripted.h | |
contains ergo input processor definitions. | |
fermi_contact.cc | |
implements "Fermi contact" integrals. | |
license.h | |
matrix_typedefs.h | |
Header file with typedefs for matrix and vector types. | |
matrix_typedefs_chtml.h | |
Header file with typedefs for matrix types, using either the hierarchical matrix library (HML) or the Chunks and Tasks matrix library (CHTML). | |
registration.cc | |
Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks. | |
registration.h | |
Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks. | |
slr.cc | |
contains a Simple Linear Response implementation based on the MO orbital picture. | |
slr.h | |
Contains a Simple Linear Response implementation based on the MO orbital picture. | |
transform.h | |