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GoodVibes v1.0.2
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@bobbypaton bobbypaton released this 10 Aug 22:41
· 439 commits to master since this release
1.0.2
b9774f0

Updates:

  • More pythonic
  • Automatically detects level of theory and applies scaling-factor from Truhlar's database
  • Fixed monoatomic species
  • Supports linked jobs containing single point energies
  • GoodVibes.py -h now prints out all available options
  • Minor fixes to output formatting
Assets 2
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