OStatic

DISCUS is a set of programs to simulate the atomic structure of disordered materials and calculate experimental properties such as diffuse scattering ...

PDFgetN is a program to process total scattering data obtained on neutron time-of-flight powder diffractometers and to obtain the atomic pair distribu...

A toolkit of Python software useful in a laboratory data acquisition and analysis environment. Includes support for such protocols as VXI-11, Vernier...

Burkhard Heim's Mass Formula - A collection of programs that calculate the mass of a variety of sub-atomic particles, based on work by the late B...

MOPlot - visualization program for fast Molecular Orbitals Plotting (and other stuff - please, read the full description) from the outputs of the Gaus...

BlochLib is an expression template library of generic data structures and algorithms to perform large scale nuclear magnetic resonance classical and q...

The main scope of the program is to take Thermo-Calc or Dictra (both registered trademarks) and transform them into nicely formatted encapsulated post...

jSGP is a Java implementation of the five SGP/SDP propagators described in NORAD's Spacetrack Report No. 3.

The application included in this project provides some facilities in processing results of molecular dynamic modeling and close experiments.

A set of computational chemistry modules and programs to perform ab initio calculations of various properties of small molecules. The system will use...