Holger Kruse hokru

Pinned

1. xopt

   eXternal OPTimizer

   Forth 5 1

2. cm5charges

   computes CM5 charges from ORCA output

   Fortran

3. fragmol

   automatic fragmentation of molecules

   Python 1

4. geotrafo

   geometric transformations of molecular structures

   Python

5. struca

   geometric structure analysis

   Fortran 1

6. psi4

   Forked from psi4/psi4

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++