University Associate Professor in Theoretical Chemistry in the Yusuf-Hamied Department of Chemistry in the University of Cambridge
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University of Cambridge
- https://www.ch.cam.ac.uk/person/ajwt3
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testcode
testcode PublicForked from jsspencer/testcode
testcode is a python module for testing for regression errors in numerical (principally scientific) software.
Python
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A-Fortran-Electronic-Structure-Programme
A-Fortran-Electronic-Structure-Programme PublicForked from brianz98/A-Fortran-Electronic-Structure-Program
An optimised, parallelised applet that performs electronic structure calculations up to the CCSD(T) theory level.
Fortran
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