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A python code for sending the BERC weekly dispatch. Queries a google calendar and a google form.
Forked from danmichaelo/cif2vasp
Converts (most) CIF files to VASP's POSCAR format
Forked from mbkumar/pycdcd
Python Library for Corrections to DFT Calculations of Defects
Forked from materialsproject/custodian
A simple, robust and flexible just-in-time job management framework in Python.
Forked from hackingmaterials/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
222 contributions in the last year
Created a pull request in materialsproject/pymatgen that received 2 comments
Non-defects related Add ability for Incar.from_string to import multiple settings in a single line separated by a semi-colon (Ex. "LHFCALC= True ;…