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brianz98/fortran-tensor-benchmarking

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1
Language
Fortran
Created almost 3 years ago
Updated almost 3 years ago

brianz98/fortran-tensor-benchmarking

brianz98

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A simple script to benchmark, and hopefully illustrate good practices of tensor operations in Modern Fortran

Modern-Electronic-Structure-with-Modern-Fortran

A coding tutorial for modern quantum chemistry, in modern Fortran

davidson_solver

A modern Fortran implementation of Davidson's method of sparse matrix diagonalisation

Jupyter Notebook

A-Fortran-Electronic-Structure-Program

An optimised, parallelised applet that performs electronic structure calculations up to the completely renormalized CCSD(T) (CR-CCSD(T)) theory level.