September 2017 Archives by thread

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Starting: Fri Sep 1 16:30:46 CEST 2017
Ending: Fri Sep 29 05:47:40 CEST 2017
Messages: 27

• [molpro-user] About identify orbitals   Eduardo Solis Céspedes
• [molpro-user] VCI - insufficient memory available   Guntram Rauhut
• [molpro-user] Molpro installation error   msds at iacs.res.in
  • [molpro-user] Molpro installation error   Andy May
    • [molpro-user] Molpro installation error   msds at iacs.res.in
      • [molpro-user] Molpro installation error   Andy May
• [molpro-user] caspt2 in ion molecule complexes   KhanBasir Ahamed (자연과학부)
• [molpro-user] adding an array of point charges to polarize the electronic density   Mariusz Radon
• [molpro-user] Wherefore art thou, ignore_error?   Seth Olsen
  • [molpro-user] Wherefore art thou, ignore_error?   Rika Kobayashi
  • [molpro-user] Wherefore art thou, ignore_error?   Klaus Doll
• [molpro-user] eomccsd properties crashes - The problem occurs in writem   Daniel Valente
  • [molpro-user] eomccsd properties crashes - The problem occurs in writem   Hans-Joachim Werner
  • [molpro-user] eomccsd properties crashes - The problem occurs in writem   Tatiana Korona
• [molpro-user] Problems running molpro in parralel (no speedup)   Fogarty, Richard M
• [molpro-user] SA-CASSCF CI Vector is missing electrons - what is going on?   Seth Olsen
• [molpro-user] Problem with RS2 using reference SA-CASSCF averaged over different ionization/spin states   Seth Olsen
  • [molpro-user] Problem with RS2 using reference SA-CASSCF averaged over different ionization/spin states   Werner Győrffy
• [molpro-user] RS2 gradient error: WRONG E0 FROM CIGAM0I   Seth Olsen
  • [molpro-user] RS2 gradient error: WRONG E0 FROM CIGAM0I   Werner Győrffy
• [molpro-user] caculation of State-Average CASSCF with different irreducibile representation?   der Anbeter des Geistes
  • [molpro-user] caculation of State-Average CASSCF with different irreducibile representation?   Peterson, Kirk
  • [molpro-user] caculation of State-Average CASSCF with different irreducibile representation?   Alexander Mitrushchenkov
• [molpro-user] why the program failed to read the 2140.2 of the previous MCSCF calculation?   der Anbeter des Geistes
• [molpro-user] XMS-RS2 (XMS=1 or 0) using SA-CASSCF orbitats   Jyotirmoy Ray
• [molpro-user] How to run MS-MR-CASPT2 by mixing two different irreduicible representation   der Anbeter des Geistes
• [molpro-user] unable to determine molpro_key: MOLPRO Installation   陈亚红

Last message date: Fri Sep 29 05:47:40 CEST 2017
Archived on: Fri Sep 29 07:24:37 CEST 2017

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