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wcwitt's Projects

ace.cpp icon ace.cpp

Experimental C++ routines for the ACE basis

dftatom icon dftatom

Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations

elemental.jl icon elemental.jl

Julia interface to the Elemental linear algebra library.

f90wrap icon f90wrap

F90 to Python interface generator with derived type support

julip.jl icon julip.jl

Julia Library for Interatomic Potentials

lammps icon lammps

Public development project of the LAMMPS MD software package

mace icon mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

molsim icon molsim

Registry for Molecular Simulation Packages

profess-1 icon profess-1

PRinceton Orbital-Free Electronic Structure Software

scipy icon scipy

Scipy library main repository

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