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1. critic2 critic2 Public

   Analysis of quantum chemical interactions in molecules and solids.

   Fortran 100 35

2. refdata refdata Public

   Benchmark data for density-functional theory method development.

   MATLAB 14 9

3. escher escher Public

   Octave routines for the manipulation and plotting of molecular and crystal structures.

   MATLAB 9 2

4. postg postg Public

   Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.

   Fortran 17 4

5. gibbs2 gibbs2 Public

   Thermodynamics of solids in the quasiharmonic approximation.

   TeX 35 11

6. pepconf pepconf Public

   Benchmark and reference set for conformational energies in peptides

   10 5