10 projects
pyqint
Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations
quantumsculpt
quantumsculpt
pydft
pydft
faare
faare
pylebedev
pylebedev
pytessel
Python package for building isosurfaces from 3D scalar fields
jupysub
JuPySub
sphecerix
Python package for constructing Wigner-D matrices
ppmil
Python package for constructing Wigner-D matrices
pymdlj
Python package for performing MD simulations using Lennard-Jones potentials