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Updated GJ-VII, GJ-VIII

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This commit is contained in:
talinke
2025-04-11 20:07:25 -07:00
parent a30daec348
commit 09d3ac0a1b
2 changed files with 54 additions and 22 deletions
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7
examples/gjf/README
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@ -33,14 +33,13 @@ POTENTIAL ENERGY (eV)
Script Commands:
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fix lang all langevin/gjf 10 10 1 26488
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fix nve all nve
fix lang all langevin 10 10 1 26488
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vs
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fix noho all nvt temp 10 10 1
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vs
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fix lang all langevin/gjf 10 10 1 26488
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