Pinned Loading

1. Molecular_symmetry Molecular_symmetry Public

   Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).

   Fortran 13 4

2. Random_color_combinations Random_color_combinations Public

   What makes people like a color combination?

   HTML 1

3. NICS_prepare_input NICS_prepare_input Public

   Program and scripts to prepare and process NICS calculations.

   C++

4. Scripts_for_comp_chem_jobs Scripts_for_comp_chem_jobs Public

   Scripts for making some things easier on the computational center

   Shell

5. Boron_clusters_global_opt Boron_clusters_global_opt Public

   Algorithm for global optimization of small boron clusters

   Fortran

6. SPSA_FDSA_molecules SPSA_FDSA_molecules Public

   Python implementation of SPSA and FDSA for finding a minimum on the potential energy surface of a molecule (geometry optimization)

   Python 6 1