ergo
source Directory Reference

Directories

directory  basisset
 
directory  ci
 
directory  densfromf
 
directory  dft
 
directory  electron_dynamics
 
directory  integrals
 
directory  matrix
 
directory  scf
 
directory  test
 
directory  utilities
 
directory  utilities_basic
 

Files

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