JOSS Papers: reviewed by @amandadumi

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630
published Published about 3 years ago

solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS

PHP
@the-hampel
10.21105/joss.04623
published Published about 5 years ago

ELECTRIC: Electric fields Leveraged from multipole Expansion Calculations in Tinker Rapid Interface Code

Python C Fortran
@valeriewelborn
10.21105/joss.02576
published Published over 5 years ago

pygen-structures: A Python package to generate 3D molecular structures for simulations using the CHARMM forcefield

Python
@thesketh
10.21105/joss.02157
Displaying 3 papers

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ISSN 2475-9066