14 projects
abobuilder
abobuilder
pyqint
Python package for evaluating integrals of Gaussian type orbitals
pymodia
A Python package for constructing clear, educational molecular orbital diagrams from qualitative models or minimal-basis electronic structure calculations.
ppmil
ppmil
pytessel
Python package for building isosurfaces from 3D scalar fields
pydft
pydft
wisex
wisex
faare
faare
pypwdft
pypwdft
sphecerix
sphecerix
quantumsculpt
quantumsculpt
pylebedev
pylebedev
jupysub
JuPySub
pymdlj
Python package for performing MD simulations using Lennard-Jones potentials
