Pinned

1. A-Fortran-Electronic-Structure-Program A-Fortran-Electronic-Structure-Program Public

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

   Fortran 3 1

2. fortran-tensor-benchmarking fortran-tensor-benchmarking Public

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

   Fortran 1

3. davidson_solver davidson_solver Public

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

   Jupyter Notebook 1

4. Modern-Electronic-Structure-with-Modern-Fortran Modern-Electronic-Structure-with-Modern-Fortran Public

   A coding tutorial for modern quantum chemistry, in modern Fortran

   TeX 2 1