GitHub - cleblond/siestaase: Scripts for running siesta in parallel with ASE

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Name		Name	Last commit message	Last commit date
Latest commit History 1 Commits
example_ase_scripts		example_ase_scripts
pps		pps
README		README
run_siesta.py		run_siesta.py
siesta_parallel		siesta_parallel
siesta_qrsh_wrap		siesta_qrsh_wrap
siesta_serial		siesta_serial

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Scripts to run SIESTA in parallel with ASE on ROCKS cluster.

Example folder includes example energy and NEB ASE scripts and SGE submission scripts
utilizing the SIESTA calculator.