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1. ANB-tools_cp2k ANB-tools_cp2k Public

2. cp2k cp2k Public

   Forked from cp2k/cp2k

   Quantum chemistry and solid state physics software package

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3. sharc4 sharc4 Public

   Forked from sharc-md/sharc4

   The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

   Python

4. cp2k_spectra_output_tools cp2k_spectra_output_tools Public

   Collection of terminal tools and libs in python/bash for processing cp2k outputs related to spectroscopy calculations. Currently focused on output from RT-TDDFT and LR-TDDFT

   Python