May 2017 Archives by thread

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Starting: Mon May 1 11:18:37 CEST 2017
Ending: Wed May 31 21:11:46 CEST 2017
Messages: 28

• [molpro-user] Cross-node parallelization   Graham Rugg
• [molpro-user] An illegal file number error with LUCCSD(T)   Klaus Doll
• [molpro-user] Problems with CCSD(T)-F12   Keith Kuwata
• [molpro-user] Molpro materials   Anton Fernando
• [molpro-user] inconsistence in MRCI results   Raulia Syrlybaeva
• [molpro-user] Fwd: Atomic spin density (Mulliken spin density) calculation   Subharaj Hossain
• [molpro-user] CI job crashing   NAGENDRANATH MANNA
  • [molpro-user] CI job crashing   Peterson, Kirk
• [molpro-user] OQVCCD does not converge at extreme geometries, but CCSD does   Tibor Győri
  • [molpro-user] OQVCCD does not converge at extreme geometries, but CCSD does   Peterson, Kirk
    • [molpro-user] OQVCCD does not converge at extreme geometries, but CCSD does   Tibor Győri
      • [molpro-user] OQVCCD does not converge at extreme geometries, but CCSD does   Peter Knowles
      • [molpro-user] OQVCCD does not converge at extreme geometries, but CCSD does   Daniel Kats
      • [molpro-user] OQVCCD does not converge at extreme geometries, but CCSD does   Tibor Győri
• [molpro-user] Convergence problems in MULTI, "WARNING: exit with wrong ci vector!!"   Mariusz Radon
  • [molpro-user] Convergence problems in MULTI, "WARNING: exit with wrong ci vector!!"   Peterson, Kirk
• [molpro-user] Getting rid of limit of 32 active orbitals in molpro2012.1   Evgeniy Gromov
  • [molpro-user] Getting rid of limit of 32 active orbitals in molpro2012.1   Sham K
    • [molpro-user] Getting rid of limit of 32 active orbitals in molpro2012.1   Evgeniy Gromov
      • [molpro-user] Getting rid of limit of 32 active orbitals in molpro2012.1   Alexander Mitrushchenkov
  • [molpro-user] Getting rid of limit of 32 active orbitals in molpro2012.1   Nike Dattani
• [molpro-user] Diffrerence between molpro and mrcc fci   Cong Wang
  • [molpro-user] Diffrerence between molpro and mrcc fci   Cong Wang
    • [molpro-user] Diffrerence between molpro and mrcc fci   Peter Knowles
      • [molpro-user] Diffrerence between molpro and mrcc fci   Cong Wang
      • [molpro-user] Diffrerence between molpro and mrcc fci   Grant Hill
• [molpro-user] Meaning of "uncompress" option   Evgeniy Gromov
  • [molpro-user] Meaning of "uncompress" option   Alexander Mitrushchenkov

Last message date: Wed May 31 21:11:46 CEST 2017
Archived on: Thu Jun 1 07:23:27 CEST 2017

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