Popular repositories Loading

1. Similarity Similarity Public

   Calculate the similarity between two vectors.

   Fortran 3

2. Gaudftb Gaudftb Public

   Interface between Gaussian and DFTB+

   Python 1 1

3. dftbplus dftbplus Public

   Forked from dftbplus/dftbplus

   DFTB+ general package for performing fast atomistic simulations

   Fortran

4. gengjf gengjf Public

   A script which transforms DFTB+ md-output-files(geo_end.xyz) to a series of Gaussian-input-files(.gjf file)

   Python

5. goptimizer goptimizer Public

   Forked from andersx/goptimizer

   Tool to use the Gaussian 09 geometry optimizer with energy and force supplied by an external program.

   Python

6. PRML PRML Public

   Forked from ctgk/PRML

   PRML algorithms implemented in Python

   Jupyter Notebook