Sonu Kumar's repositories
conformer_search
Generate possible conformations for small molecules for subsequent semi-empirical optimization.
782
Basis expansion solution to quantum 1D quantum potentials.
align
a set of classes and routines for structural alignment
ASE-Tutorials
Examples of using the Atomic Simulation Environment
autocomplete-fortran-ext
External index files for https://atom.io/packages/autocomplete-fortran
blogsamples
code samples from the blog
dielectric_mixture
A python script for the calculation of the effective dielectric constant for a mixture of two phases
fortran-list
Generic list implementation in Fortran 2003. Uses unlimited polymorphics or parametric polymorphism.
futility-1
A collection of modern Fortran utilities
jburkardt-f77
Git Mirror of John Burkardt's great collection of FORTRAN 77 Software
minimize
Minimization routines such as steepest descent, conjugate gradient, and quasi-Newton methods with line search method such as quadratic interpolation and golden section.
nano-In2O3
Nanoclusters of indium oxide (In2O3) generated from a global optimisation procedure
NEGF
Non-equilibrium green's function method
pandas-cookbook
Recipes for using Python's pandas library
zgexpv
Matrix-Exponential for Quantum Mechanics