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f-fathurrahman/qeManager

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Short description: Automate a lot of small PWSCF jobs.

This is an attempt to create a manager for various ab-initio codes such as PWSCF, ABINIT, Gaussian, and NWChem. There are quite a lot of codes like the ones I mentioned before, but for the moment I will concentrate on these codes.

There are many tools and more mature tools like this such as ASE and PyMatGen. However, these tools are not mainly used in conjuction with PWSCF and somewhat lack customizations.

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