lanl/PYSEQM - GitHub Explorer | GitHub Explorer | Trending

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78

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78

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3

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70/100

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30/30

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Recent Commits

rouge print statement removed

Vishikh Athavale - 401562•1 month ago

fe3061fView on GitHub

improve namd code

Vishikh Athavale•1 month ago

8bf23bfView on GitHub

better readxyz

Vishikh Athavale•1 month ago

81edd56View on GitHub

better readxyz

Vishikh Athavale•1 month ago

2a1b60eView on GitHub

add step 0 data to MD save files

Vishikh Athavale•1 month ago

6d6dd50View on GitHub

save electronic coeffs in namd to hdf5

Vishikh Athavale•1 month ago

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NAMD with decoherence, trivial crossings

Vishikh Athavale•1 month ago

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Remove unused import from make_dm_guess.py

vishikh•2 months ago

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Merge pull request #11 from lanl/excited_xlbomd

vishikh•2 months ago

5b13783View on GitHub

xlesmd analytical gradient

Vishikh Athavale•2 months ago

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formatting

Vishikh Athavale•2 months ago

1cf013dView on GitHub

Merge branch 'master' into excited_xlbomd

Vishikh Athavale•2 months ago

3459780View on GitHub

reorganization and formatting

Vishikh Athavale•2 months ago

8a1a5aeView on GitHub

clean up

Vishikh Athavale•2 months ago

4619d28View on GitHub

tweak

Vishikh Athavale - 401562•2 months ago

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PYSEQM

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