September 2012 Archives by thread

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Starting: Sat Sep 1 08:55:16 BST 2012
Ending: Fri Sep 28 09:41:38 BST 2012
Messages: 34

• [molpro-user] problem in requesting multiprocessor job and intermediate file size   Yang Xueliang
  • [molpro-user] problem in requesting multiprocessor job and intermediate file size   Andy May
• [molpro-user] Compile error   Pawel Dziekonski
• [molpro-user] HELP:some questions about loop   付铭凯
• [molpro-user] one question about calculating polarizability   CC XX
  • [molpro-user] one question about calculating polarizability   Tatiana Korona
• [molpro-user] Compiling on AMD   Thorsten Stolper
  • [molpro-user] Compiling on AMD   Andy May
• [molpro-user] selective use orbital as guess orbital and save detail in loop   付铭凯
  • [molpro-user] selective use orbital as guess orbital and save detail in loop   Kirk Peterson
• [molpro-user] The problem about a reversed loop to optimize CH3Cl(Cs) with casscf method   付铭凯
  • [molpro-user] The problem about a reversed loop to optimize CH3Cl(Cs) with casscf method   Peter Knowles
• [molpro-user] CUDA-accelerated Part of Molpro v 2012.1   Ismail, Mohd F.
• [molpro-user] Saving transition density matrices from EOM-CCSD calculation   Tatiana Korona
• [molpro-user] FCI saving and loading vectors   Petra R Kapralova-Zdanska
  • [molpro-user] FCI saving and loading vectors   Peter Knowles
• [molpro-user] MOLPRO 2012.1 compilation problem   Aristotle Papakondylis
  • [molpro-user] MOLPRO 2012.1 compilation problem   Andy May
• [molpro-user] converting symmetry of orbitals   Benjamin Levine
  • [molpro-user] converting symmetry of orbitals   Hans-Joachim Werner
• [molpro-user] Confused about ionic configuration   付铭凯
• [molpro-user] error in running molpro job-reg   Sandhiya Lakshmanan
  • [molpro-user] error in running molpro job-reg   Andy May
• [molpro-user] ERROR IN WRITE DUMP error   Jacek Antoni Klos
• [molpro-user] Analytical hessian in qsdpath?   Michael Nix
• [molpro-user] molproview   Kanters, Rene
• [molpro-user] Correct Syntax for CCSD Frozen core Orbitals for Ag2   Brian Napolion
  • [molpro-user] Correct Syntax for CCSD Frozen core Orbitals for Ag2   Kirk Peterson
• [molpro-user] Problem or limit in FCIDUMP ?   Yingjin Ma
  • [molpro-user] Problem or limit in FCIDUMP ?   Peter Knowles
• [molpro-user] some question about munual   付铭凯
• [molpro-user] ERROR IN WRITE_DUMP: TOO MANY ENTRIES IN RECORD 8100.2 WHEN WRITING DENSITY/TRANSITION SET= 0   Dr. Satrajit Adhikari
  • [molpro-user] ERROR IN WRITE_DUMP: TOO MANY ENTRIES IN RECORD 8100.2 WHEN WRITING DENSITY/TRANSITION SET= 0   Hans-Joachim Werner
    • [molpro-user] ERROR IN WRITE_DUMP: TOO MANY ENTRIES IN RECORD 8100.2 WHEN WRITING DENSITY/TRANSITION SET= 0   Dr. Satrajit Adhikari

Last message date: Fri Sep 28 09:41:38 BST 2012
Archived on: Fri Apr 4 12:08:47 BST 2014

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