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@MtoLStoN MtoLStoN released this 28 Jan 15:08
· 24 commits to main since this release
v0.6.0-alpha
2846e08
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Learn about vigilant mode.

Implemented the possibility to use ORCA instead of TURBOMOLE.
Note: There are no dedicated ORCA Parameters, so the results may differ from expected ones.

  • Implemented an Orca Driver
  • Implemented Orca2Cosmo subroutine for using Orca CPCM Files
  • Changed Info Routines accordingly
  • Small Bugfixes and improvements to printout.
Assets 3
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