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python-ase 3.21.1-2
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  • size: 13,936 kB
  • sloc: python: 122,428; xml: 946; makefile: 111; javascript: 47

Folder: turbomole

d .. (parent)
- - rw-r--r-- 0 __init__.py
- - rw-r--r-- 3,004 test_turbomole_2h2o.py
- - rw-r--r-- 1,179 test_turbomole_H2.py
- - rw-r--r-- 1,423 test_turbomole_au13.py
- - rw-r--r-- 1,515 test_turbomole_h2o.py
- - rw-r--r-- 2,413 test_turbomole_h3o2m.py
- - rw-r--r-- 517 test_turbomole_optimizer.py
- - rw-r--r-- 2,645 test_turbomole_qmmm.py