MOLPAK (MOLecular PAcKing) is used for predicting crystal structures
MOLPAK (MOLecular PAcKing) is a program for the prediction of crystal structures used in both energetic materials and pharmaceutical design. The MOLPAK package, as currently distributed, includes the MOLPAK code, PMIN code, Utilities programs, an interface program and a users guide document.
GeoSolid3D produces 3D geologic solid models, incorporated into the aquifer and confining units of the USGS ground water models, Modflow and Sutra. Uses GIS data of DEMs, geologic maps, and maps of river, watershed, recharge, and aquifer parameters.
Any Particle Molecular Orbital (APMO) has been created in order to study nuclear quantum effects. The current version of the APMO code is an implementation of the nuclear orbital and molecular orbital approaches (NMO) at the Hartree-Fock level of the
The goal of this library is to allow the creation of graphics in an easy way without having to care about graphic standart. It also make the color interpolation in a proper way and prevent some of the openGL artefacts. It also tries to be coherent ove
Getting rid of the endian problems as well as the the multitude of numerical formats existing on different systems. say goodbye to #ifdef BIGENDIAN ... or #ifdef THAT_OS_FLOAT
A package for isobaric-isothermal molecular dynamics simulations
The Open Source Risk Engine (OSRE) is a natural hazards loss estimation software.