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spice-electrostatics

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spice-electrostatics / model_fitting

1.77 GB

1 contributor

History: 2 commits

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aff73bc verified about 1 year ago

checkpoints
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logs
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mace_md_pol_test
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results
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analysis_md.ipynb

207 kB

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chgnolin_md_snapshot_25_scf_steps.xyz

24.1 kB

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chignolin.xyz

728 kB

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chignolin_formatted.xyz

7.58 kB

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chignolin_md.xyz

4.84 MB

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chignolin_md_scf.xyz

2.43 MB

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chignolin_md_scf_10_steps.xyz

2.43 MB

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chignolin_md_scf_25_steps copy.xyz

627 kB

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chignolin_md_scf_25_steps.xyz

916 kB

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mace_pol_spice_v1.model

14.4 MB
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mace_pol_spice_v1_stage_2_5step.model

14.4 MB
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mace_pol_spice_v1_stage_2_5step_swa.model

14.4 MB
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mace_pol_spice_v1_swa.model

14.4 MB
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run_md.py

704 Bytes

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