Massively Parallel Quantum Chemistry program
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
Framework for blockstructured adaptive finite volume methods. Provides MPI-parallelized variant of the Berger-Oliger AMR algorithm for Beowulf-clusters. Uses Clawpack. Visualization and conversion tools for HDF4 files included.
ACCORD is a C library for composition of scanning electron or helium-ion microscope images with correction of drift. It produces significantly more accurate images than the traditional imaging techniques and also provides drift trajectories.
BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
DAVE is an integrated environment for the reduction, visualization and analysis of inelastic neutron scattering (scientific) data. It is built with IDL from Research Systems, Inc. DAVE is fully supported on Linux, Windows and MacOS X.
This is a parallel GPU based implementation of a Finite Difference-Time Domain (FDTD) Maxwell's equations solver. Shader codes are implemented to offload update calculations to the GPU via standard OpenGL and Cg. Parallelization is accomplished via MPI.
Geolog C & TCL Overpressure calculation and Lithology filtering scripts for Geolog by Anthony Miller as used on Scott Pickford projects.
Mechanical Properties Modules in C and TCL integrated for Geolog. This code was written for the Paradigm Geolog package (C"Loglan"/TCL). Though designed for Geolog they aren't part of it or owned by Paradigm. Feel free to do what you like with them.
Chemiinformatics: ND qsar -- dimensions involved in biological activity are more than the tree dimensions our mind can easily perceive.
TCL Geolog Xplots of VP,VS,IP,IS, VS diveded by VP, POISSON'S RATIO, MU*RHO, LAMBDA*RHO LAMBDA/RHO, SHEAR MODULUS, YOUNGS MODULUS and BULK MODULUS and COMPRESSIBILITY logs given only three inputs 1) DT sonic log 2) DTS shear sonic log 3) RHOB densit
Program to fit data from decay experiments, for example, a time-resolved fluorescence measurement. It handles multiexponential decays, and simultaneous fit of many measures. Instrumental response function must be provided.