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