October 2002 Archives by thread

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Starting: Tue Oct 1 11:10:22 BST 2002
Ending: Tue Oct 29 16:45:58 GMT 2002
Messages: 26

• Building Molpro for Alpha Linux   David Smith
  • Building Molpro for Alpha Linux   Peter Knowles
• Problems with Brueckner orbitals   Dave Moore
• Problems with Brueckner orbitals   Dave Moore
• Error reading   Akyl Tulegenov
• Problem with setting geometry using Z-matrix   Evgeniy Gromov
• Error reading   Akyl Tulegenov
• Open-shell SCF calculation with transition metals   Nathan DeYonker
• Bug in property program   Andreas Hesselmann
• Molpro: reordering orbitals?   Matthew E. Cremeens
• Molpro: reordering orbitals?   Seth Olsen
• Pseduo-Canonical Orbitals   Shai Ronen
• Molpro: conical intersection search   Matthew E. Cremeens
  • Molpro: conical intersection search   IM Grant, Science 99
• Expectation values   Shai Ronen
  • Expectation values   Dave Moore
• reading ASCII orbitals for casscf calculation   Seth Olsen
• reading ASCII orbitals for casscf calculation   Seth Olsen
• question on reading ASCII orbitals for casscf calculation   Seth Olsen
• Molpro: conical intersection search   Matthew E. Cremeens
• BCCD(T) optimization   Dave Moore
• BSSE   Prankul Middha
• BSSE   uccatvm
• viewing MOs written to molden-formatted file   Olga Dmitrenko
  • viewing MOs written to molden-formatted file   Dave Moore
• Second-Order CI Possible?   The Matt

Last message date: Tue Oct 29 16:45:58 GMT 2002
Archived on: Mon Aug 25 18:42:33 BST 2008

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