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1. HFSzaboOstlund HFSzaboOstlund Public

   Hartree-Fock program as showed by Szabo and Ostlund in Modern Quantum Chemistry

   Fortran 7 1

2. gpu_blas_performance gpu_blas_performance Public

   Tool to test dgemm performance using GPU blas libraries

   C++ 2

3. cif2json cif2json Public

   Forked from zoeseeger/cif2json

   Make an exess input file (json) from a cif file.

   Python

4. debug_tools_fortran debug_tools_fortran Public

   Fortran

5. lessons_in_cmake_for_fortran lessons_in_cmake_for_fortran Public

   Simple progressive lessons on using CMake to build Fortran projects

   CMake

6. parley_exess parley_exess Public

   A simple python script that will transform xyz to exess json input format and viceversa

   Python