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python-ase 3.26.0-2
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  • size: 15,484 kB
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Folder: ga

d .. (parent)
- - rw-r--r-- 1,655 basic_example_create_database.py
- - rw-r--r-- 2,865 basic_example_main_run.py
- - rw-r--r-- 490 ga_basic_calc.py
- - rw-r--r-- 2,861 ga_basic_parallel_main.py
- - rw-r--r-- 5,099 ga_basic_parameters.py
- - rw-r--r-- 2,808 ga_basic_pbs_main.py
- - rw-r--r-- 3,188 ga_bulk.rst
- - rw-r--r-- 1,870 ga_bulk_relax.py
- - rw-r--r-- 5,438 ga_bulk_run.py
- - rw-r--r-- 2,261 ga_bulk_start.py
- - rw-r--r-- 10,342 ga_convex_hull.rst
- - rw-r--r-- 3,635 ga_convex_run.py
- - rw-r--r-- 2,541 ga_convex_start.py
- - rw-r--r-- 11,389 ga_fcc_alloys.rst
- - rw-r--r-- 1,918 ga_fcc_alloys_main.py
- - rw-r--r-- 2,151 ga_fcc_alloys_relax.py
- - rw-r--r-- 471 ga_fcc_alloys_start.py
- - rw-r--r-- 918 ga_fcc_references.py
- - rw-r--r-- 3,508 ga_molecular_crystal.rst
- - rw-r--r-- 3,985 ga_molecular_crystal_relax.py
- - rw-r--r-- 4,004 ga_molecular_crystal_run.py
- - rw-r--r-- 1,756 ga_molecular_crystal_start.py
- - rw-r--r-- 9,732 ga_optimize.rst
- - rw-r--r-- 740 plot_convex_hull.py
- - rw-r--r-- 140 run.py