tovrstra/Python-MIC
A Python MD demo with energy (and forces) computed in C++
A collection of easyconfig files that describe which software to build using which build options with EasyBuild.
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A Python MD demo with energy (and forces) computed in C++
ApplyBCI is a tool to compute charges from bond-charge increments
TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
A filtered read-only filesystem for FUSE