Modules List

Here is a list of all modules with brief descriptions:

m_BFGS	Implements bfgs method for large scale optimization
m_Constants	Defines constants that are needed in the code
m_DensityMatrix	Functions and subroutines to build the density matrix
m_DriverRoutines	Routines that "drive" the program
m_Dynamics	Routines that deal with the dynamics
m_Electrostatics	Electrostatics potential and field
m_Fit	Controls the fitting process
m_Gutenberg	Prints complicated structures
m_Hamiltonian	Subprograms needed to build the hamiltonian and some forces
m_LBFGS	Implements limited memory bfgs method for large scale optimization
m_LinearAlgebra	This module defines the matrix type and implements all linear algebra subroutines
m_Mixing	Does the Pulay mixing in the scf method
m_Parser	Deals with all subroutines related with the parsing
m_ReadData	Deals with reading the input file(s)
m_SA	Simulated Annealing
m_SCF	Self consistent field method
m_Simplex	Implements simplex algorithm for minimization in the spiriti of NR
m_SimplexSA	Simplex-Simulated Annealing in the spirit of NR
m_SlaterKoster	Implements Slater Koster table and the first derivatives
m_TailFunctions	Implements all routines and functions related with tails for hopping integrals and repulsive potentials
m_Testing
m_TightBinding	Deals with the general tight binding functions
m_Types	Defines different data types used around the program
m_Useful	Subprograms of general use
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