A Knight who says Ni.
BSc. MSc. Chemical Engineering
PhD. Biophysics
I try to code in Julia. I like molecular simulation and thermodynamics.
- Grande Prairie, Alberta
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gbasis
gbasis PublicForked from theochem/gbasis
Python library for Gaussian basis function evaluation & integrals
Python
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QuixoticSimulating
QuixoticSimulating PublicSimulation code for rigid polyatomic mixtures written in Julia. Uses bare coulomb, Wolf or Ewald summation for electrostatics.
Julia
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