All Categories → No Category → semiempirical-methods

Top 1 semiempirical-methods open source projects

quantum-dynamics-hub.github.io/libra/index.html

✭ 33

Jupyter Notebook Roff C++python Gnuplot CMake library utilities dynamics quantum molecular-dynamics object-oriented quantum-chemistry do-it-yourself electronic-structure nonadiabatic methodology-development semiempirical-methods atomic-orbitals

1-1 of 1 semiempirical-methods projects