ergo
source Directory Reference

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