February 2010 Archives by thread

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Starting: Mon Feb 1 11:32:26 GMT 2010
Ending: Sun Feb 28 20:35:31 GMT 2010
Messages: 75

• [molpro-user] parallel excustion problem   mahesh kumar
  • [molpro-user] parallel excustion problem   Manhui Wang
    • [molpro-user] parallel excustion problem   Jörg Saßmannshausen
      • [molpro-user] parallel excustion problem   Cimiraglia Renzo
      • [molpro-user] parallel excustion problem   Jörg Saßmannshausen
• [molpro-user] Counterpoise correction for ion-molecular complexes   Yang, Shengfu F. (Dr.)
  • [molpro-user] Counterpoise correction for ion-molecular complexes   Grant Hill
    • [molpro-user] Counterpoise correction for ion-molecular complexes   Yang, Shengfu F. (Dr.)
  • [molpro-user] Counterpoise correction for ion-molecular complexes   Kirk Peterson
• [molpro-user] Molden & xml files - basis function mapping for orbital store   Stephen Harrison
• [molpro-user] nocheck in optg   Natalia Inostroza
  • [molpro-user] nocheck in optg   Alexander Mitrushchenkov
    • [molpro-user] nocheck in optg   Alexander Mitrushchenkov
• [molpro-user] segmentation violation error in Spin-Orbit coupling calculation   Xing Chen
  • [molpro-user] segmentation violation error in Spin-Orbit coupling calculation   Alexander Mitrushchenkov
• [molpro-user] NBO with CC density   Jose A. Gamez
  • [molpro-user] NBO with CC density   Zork Zou
    • [molpro-user] NBO with CC density   Jose A. Gamez
      • [molpro-user] NBO with CC density   Zork Zou
  • [molpro-user] NBO with CC density   Ricardo Mata
    • [molpro-user] Counterpoise correction for Na+He   Yang, Shengfu F. (Dr.)
      • [molpro-user] Counterpoise correction for Na+He   Tim Wright
      • [molpro-user] Counterpoise correction for Na+He   jklos at umd.edu
      • [molpro-user] Counterpoise correction for Na+He   Grant Hill
      • [molpro-user] Counterpoise correction for Na+He   Yang, Shengfu F. (Dr.)
• [molpro-user] Orbital symmetry information in Molden format   Stephen Harrison
• [molpro-user] NON ZERO P-SPACE GRADIENT   Tiago Vinicius Alves
• [molpro-user] basis sets   mahesh kumar
  • [molpro-user] basis sets   Grant Hill
  • [molpro-user] basis sets   cong.wang
  • [molpro-user] basis sets   Gerald Knizia
• [molpro-user] Number of CPUs on NERSC ?   eurisco1 at pochta.ru
  • [molpro-user] Number of CPUs on NERSC ?   Neeraj Rai
• [molpro-user] maximum number of processors in Cray XT4 system   Neeraj Rai
• [molpro-user] Why the MCSCF energy is lower than Full-CI?   cong.wang
  • [molpro-user] Why the MCSCF energy is lower than Full-CI?   Peter Knowles
    • [molpro-user] Why the MCSCF energy is lower than Full-CI?   cong.wang
  • [molpro-user] Why the MCSCF energy is lower than Full-CI?   Kirk Peterson
• [molpro-user] wave function from Gaussian to Molpro   Xing Chen
• [molpro-user] uccsd(t) energies   Jose A. Gamez
  • [molpro-user] uccsd(t) energies   Manhui Wang
    • [molpro-user] uccsd(t) energies   Jose A. Gamez
• [molpro-user] Molpro-user Digest, Vol 19, Issue 15   Natalia Inostroza
• [molpro-user] How to solve "insufficient memory available" ? If value of RAM is fixed.   eurisco1 at pochta.ru
• [molpro-user] Questions about frozen core in SAPT calculation   cong.wang
  • [molpro-user] Questions about frozen core in SAPT calculation   Andreas Hesselmann
    • [molpro-user] Questions about frozen core in SAPT calculation   cong.wang
      • [molpro-user] Questions about frozen core in SAPT calculation   Andreas Hesselmann
      • [molpro-user] Questions about frozen core in SAPT calculation   cong.wang
• [molpro-user] Molpro 2009.1 on Phenom 9850   Zhendong Zhao
• [molpro-user] sapt_frozen   mahesh kumar
  • [molpro-user] sapt_frozen   Andreas Hesselmann
• [molpro-user] dipole-hexadecapole polarizability   Yulia Kalugina
  • [molpro-user] dipole-hexadecapole polarizability   Gerald Knizia
  • [molpro-user] dipole-hexadecapole polarizability   Tatiana Korona
    • [molpro-user] dipole-hexadecapole polarizability   Yulia Kalugina
• [molpro-user] parallel running molpro 2009.1   John Travers
  • [molpro-user] parallel running molpro 2009.1   Manhui Wang
    • [molpro-user] parallel running molpro 2009.1   Manhui Wang
      • [molpro-user] parallel running molpro 2009.1   Manhui Wang
• [molpro-user] molpro installation problem   Manhui Wang
• [molpro-user] Segmentation Violation Error   Yulia Kalugina
  • [molpro-user] Segmentation Violation Error   Yulia Kalugina
  • [molpro-user] Segmentation Violation Error   Yulia Kalugina
• [molpro-user] {SPAM}? memory   mahesh kumar
• [molpro-user] multipole moments   Yulia Kalugina
  • [molpro-user] multipole moments   Tatiana Korona
• [molpro-user] digits   Yulia Kalugina
  • [molpro-user] digits   Michael Marshall
  • [molpro-user] digits   Gerald Knizia
• [molpro-user] Question about MRCI output   Lorenzo Lodi
• [molpro-user] CCSd(T) with core   Wafaa Fawzy
  • [molpro-user] CCSd(T) with core   Kirk Peterson
• [molpro-user] symmetry/no symmetry in molpro2009.1   Neeraj Rai
• [molpro-user] Molpro-user Digest, Vol 19, Issue 30   Wafaa Fawzy

Last message date: Sun Feb 28 20:35:31 GMT 2010
Archived on: Fri Apr 4 12:08:42 BST 2014

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