February 2007 Archives by thread

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Starting: Thu Feb 1 08:59:23 GMT 2007
Ending: Tue Feb 27 17:05:06 GMT 2007
Messages: 20

• [molpro-user] how to get out the MO integrals?   Peter Knowles
• [molpro-user] CASSCF calculation error   Cristopher Camacho
• [molpro-user] Shared Memory & MPI conflict   tapang at barc.gov.in
  • [molpro-user] Shared Memory & MPI conflict   Reuti
    • [molpro-user] Shared Memory & MPI conflict   tapang at barc.gov.in
• Fwd: [molpro-user] UHF Error from Molpro 2006.1.   Wang Mingwei
• [molpro-user] Does QSDPATH calculate mass-weighted IRC's ?   harding
  • [molpro-user] Does QSDPATH calculate mass-weighted IRC's ?   H.-J. Werner
• [molpro-user] One-electron expectation values   Brian Prascher
  • [molpro-user] One-electron expectation values   Tatiana Korona
• [molpro-user] AQCC and excited states   H.-J. Werner
• [molpro-user] hessian always calculated numerically for root=2 ump2, rccsd, rccsd(t) geometry opts   Benj FitzPatrick
  • [molpro-user] hessian always calculated numerically for root=2 ump2, rccsd, rccsd(t) geometry opts   H.-J. Werner
• [molpro-user] Molpro on NEC SX-6/-8 supported again?   Reuti
• [molpro-user] from old to new version   Oleg Polyanski
  • [molpro-user] from old to new version   Benj FitzPatrick
• [molpro-user] Error for geometry optimization.   Wang Mingwei
• [molpro-user] compilation troubles on AIX 5.3   Toon Verstraelen
• [molpro-user] computing density differences   Francesco Tarantelli
• [molpro-user] analytical gradients for DF-MP2   Omololu

Last message date: Tue Feb 27 17:05:06 GMT 2007
Archived on: Fri Apr 4 12:08:36 BST 2014

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