Code

Check the GitHub repository at github.com/sebagodoy. The most relevant are:

• stegoplot: Post-processing python package for ab-initio molecular thermodynamics and plot reaction energy profiles.

• VASP_tools: Miscellaneous python, bash and vba tools to work with VASP (QM code) input/output files in HPC centers and personal computers.

• Alexandria: simple Django framework to log/categorize/organize and current and past computations (work in progress)

• DL_Poly_Tools: Tools to work with input/output DLPOLY files (MD code)

• LabAutomatization: Matlab app for programing batch test using Kofloc Mass controllers