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Achievement: Arctic Code Vault ContributorAchievement: StarstruckAchievement: Pull Shark
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Pinned

  1. critic2 critic2 Public

    Analysis of quantum chemical interactions in molecules and solids.

    Fortran 88 35

  2. refdata refdata Public

    Benchmark data for density-functional theory method development.

    MATLAB 13 8

  3. escher escher Public

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

    MATLAB 8 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 16 3

  5. gibbs2 gibbs2 Public

    Thermodynamics of solids in the quasiharmonic approximation.

    TeX 29 9

  6. pepconf pepconf Public

    Benchmark and reference set for conformational energies in peptides

    9 4