Timestamp:
Feb 9, 2009, 11:17:38 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
2218dca
Parents:
97c751
Message:

Basis for MPQC can now be specified via command line switch

  • -B is ParseCommandLineOptions added
  • configuration::basis added, set to 3-21G in constructor
  • used in configuration::SaveMPQC()
(No files)

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