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Search results for python parameter sweep

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4 search results found

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

Loop like a pro, make parameter studies fun.

Submititnow ⭐ 9

A "makeshift" toolkit to create and launch Jobs from existing python scripts on SLURM, and also monitor the status of current and past jobs.

Parasweep ⭐ 5

Utility for facilitating parallel parameter sweeps

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