December 2006 Archives by thread

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Starting: Sat Dec 2 17:43:42 GMT 2006
Ending: Sat Dec 23 19:25:44 GMT 2006
Messages: 27

• [molpro-user] torque/maui + molpro dies after a few seconds   Benj FitzPatrick
• [molpro-user] update 3: error during make install -> swapdisks   Benj FitzPatrick
• [molpro-user] a pspace error propblem with multi   Wang Bingwu
  • [molpro-user] a pspace error propblem with multi   H. -J. Werner
• [molpro-user] ECP and 6-31+G* geometry optimization input file structure?   Paul Ha-Yeon Cheong
  • [molpro-user] ECP and 6-31+G* geometry optimization input file structure?   Grant Hill
• [molpro-user] Error in AUGI   Thierry Leininger
• [molpro-user] Active orbitals in RS2   Patrick de Pujo
• [molpro-user] Input inquiry: ECP and 6-31+G* mixed basis + ecp input?   Paul Ha-Yeon Cheong
• [molpro-user] Transition State Search   Jingjing Zheng
• [molpro-user]How to print the Hessian matrix?   张士扬
• [molpro-user] C4v symmetry   Ashwani Kumar Tiwari
  • [molpro-user] C4v symmetry   Peter Knowles
    • [molpro-user] excited state calculation using MRCI   Ashwani Kumar Tiwari
  • [molpro-user] C4v symmetry   Grant Hill
• [molpro-user] OPTG with UHF   Pawel Wielgus
  • [molpro-user] OPTG with UHF   Kirk Peterson
• [molpro-user] Excited state geometry optimization with RS2   irudra3 at mail.gatech.edu
• [molpro-user] viewing MRCI orbitals   Jeremy Merritt
• [molpro-user] Error in UMP2/OPTG   Pawel Wielgus
• [molpro-user] One-Electron Expectation Values EKIN and POT   Brian Prascher
  • [molpro-user] One-Electron Expectation Values EKIN and POT   Peter Knowles
• [molpro-user] MOLPRO on Mac Book pro   Iwata, Suehiro
• [molpro-user] I/O error on large ccsd(t) job   Gert von Helden
• [molpro-user] CASSCF and MRCI   Ashwani Kumar Tiwari
  • [molpro-user] CASSCF and MRCI   Kirk Peterson
• [molpro-user] more on I/O error on large ccsd(t) job   helden at fhi-berlin.mpg.de

Last message date: Sat Dec 23 19:25:44 GMT 2006
Archived on: Fri Apr 4 12:08:36 BST 2014

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