April 2014 Archives by thread

• Messages sorted by: [ subject ] [ author ] [ date ]

Starting: Tue Apr 1 16:05:42 BST 2014
Ending: Wed Apr 30 14:54:56 BST 2014
Messages: 71

• [molpro-user] illegal implementation problem in openw?   Grigory Shamov
  • [molpro-user] illegal implementation problem in openw?   Andy May
• [molpro-user] nonadiabatic corrections   Екатерина Максимова
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• [molpro-user] Lattice point of charges in Molpro vs Orca   Quan Phung
  • [molpro-user] Lattice point of charges in Molpro vs Orca   Susi Lehtola
    • [molpro-user] Lattice point of charges in Molpro vs Orca   Quan Phung
    • [molpro-user] Lattice point of charges in Molpro vs Orca   Susi Lehtola
      • [molpro-user] Lattice point of charges in Molpro vs Orca   Quan Phung
      • [molpro-user] Lattice point of charges in Molpro vs Orca   Susi Lehtola
• [molpro-user] Error :: Bad file descriptor   Yulia Kalugina
  • [molpro-user] Error :: Bad file descriptor   Andy May
    • [molpro-user] Error :: Bad file descriptor   Yulia Kalugina
• [molpro-user] Question on the molpro binaries at the Molpro web-site   Evgeniy Gromov
  • [molpro-user] Question on the molpro binaries at the Molpro web-site   Andy May
• [molpro-user] Molpro 2012.1 installation problem,   c00jsh00 at nchc.narl.org.tw
  • [molpro-user] Molpro 2012.1 installation problem,   Andy May
    • [molpro-user] Molpro 2012.1 installation problem,   c00jsh00 at nchc.narl.org.tw
    • [molpro-user] Molpro 2012.1 installation problem,   c00jsh00 at nchc.narl.org.tw
      • [molpro-user] Molpro 2012.1 installation problem,   Andy May
• [molpro-user] mxgrp too small in binput   Paul Hatton
  • [molpro-user] mxgrp too small in binput   Andy May
• [molpro-user] which would be the best hardware investment for future Molpro versions ?   Edrisse Chermak
  • [molpro-user] which would be the best hardware investment for future Molpro versions ?   Gerald Knizia
• [molpro-user] surf and optg problems in Molpro   Matthias Heger
  • [molpro-user] surf and optg problems in Molpro   Andy May
  • [molpro-user] surf and optg problems in Molpro   Guntram Rauhut
    • [molpro-user] surf and optg problems in Molpro   Matthias Heger
      • [molpro-user] surf and optg problems in Molpro   Andy May
      • [molpro-user] surf and optg problems in Molpro   Guntram Rauhut
      • [molpro-user] surf and optg problems in Molpro   Matthias Heger
• [molpro-user] RHF not converged problem   sutay at itu.edu.tr
  • [molpro-user] RHF not converged problem   Grant Hill
  • [molpro-user] RHF not converged problem   Andy May
• [molpro-user] (no subject)   george
  • [molpro-user] (no subject)   Benj FitzPatrick
• [molpro-user] Bug?!!! Incorrect spin-orbit coupling values and scales linearly with the number of processors   Ryan Zaari
  • [molpro-user] Bug?!!! Incorrect spin-orbit coupling values and scales linearly with the number of processors   Andy May
• [molpro-user] File *****.xml does not validate   Maikel Ballester
  • [molpro-user] File *****.xml does not validate   Andy May
• [molpro-user] Aims help   Satyam Srivastava
  • [molpro-user] Aims help   Andy May
• [molpro-user] state averaged DMRG   Clemens Rauer
  • [molpro-user] state averaged DMRG   Andy May
• [molpro-user] AIMS with general contracted basis set   Gabriel Freitas
  • [molpro-user] AIMS with general contracted basis set   Andy May
• [molpro-user] Quary regarding EOMCCSD optimization and frequency calculatio   samala nagaprasad reddy
  • [molpro-user] Quary regarding EOMCCSD optimization and frequency calculatio   Tatiana Korona
• [molpro-user] UCCSD(T) calculation with DHF-QZVP-2C set does not converge for a Cs atom   sasha medvedev
  • [molpro-user] UCCSD(T) calculation with DHF-QZVP-2C set does not converge for a Cs atom   Kirk Peterson
• [molpro-user] wrong atomic ordering in Molden file   Peter Knowles
  • [molpro-user] wrong atomic ordering in Molden file   ZOUWL
• [molpro-user] Discrepancy in the two electron integrals with and without symetry   Peter Knowles
• [molpro-user] Lagrangian multipliers in CC code   ro cha
  • [molpro-user] Lagrangian multipliers in CC code   Werner Győrffy
• [molpro-user] USING ANO basis in MOLPRO   G Mahesh
  • [molpro-user] USING ANO basis in MOLPRO   Kirk Peterson
• [molpro-user] conical intersection search - cutting orbital rotation derivative contributions?   Justyna Zurek
• [molpro-user] conical intersection search - cutting cost   Justyna Zurek

Last message date: Wed Apr 30 14:54:56 BST 2014
Archived on: Wed Apr 30 23:11:59 BST 2014

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