July 2011 Archives by subject

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Starting: Sat Jul 2 21:49:07 BST 2011
Ending: Thu Jul 28 09:41:52 BST 2011
Messages: 29

• [molpro-user] (molpro-user) Unexplanable convergence to higher states   Aris Mitropoulos
• [molpro-user] 1.5TB disk usage --marshall   Michael Marshall
• [molpro-user] 1.5TB disk usage --marshall   Martin Diefenbach
• [molpro-user] DF-DFT-SAPT calculation requires too much memory   WU Yanbin
• [molpro-user] DF-DFT-SAPT calculation requires too much memory   Andy May
• [molpro-user] ECP and all electron spin-orbit   Edmund Meyer
• [molpro-user] Error with symmetry and dummies   Matthias Gottschalk
• [molpro-user] Error with symmetry and dummies   Tatiana Korona
• [molpro-user] induced multipoles   Keith McLaughlin
• [molpro-user] LT-DF-LCC2   Lee E.P.F.
• [molpro-user] LT-DF-LCC2   Daniel Kats
• [molpro-user] MPPX Computations Won't Finish   Harvey Wasserman
• [molpro-user] MPPX Computations Won't Finish   Andy May
• [molpro-user] Non-reproducible stuck state when running Molpro on NFS drive   Gregory Magoon
• [molpro-user] normal mode   Eryin Feng
• [molpro-user] optimization problem   Berkay Sütay
• [molpro-user] optimization problem   Andy May
• [molpro-user] parallel binary execution   Schofield, Daniel
• [molpro-user] Parser: vector out of boundary (8)   Andy May
• [molpro-user] Permanent installation of dependencies   Andy May
• [molpro-user] Permanent installation of dependencies   Gregory Magoon
• [molpro-user] Permanent installation of dependencies (was: Non-reproducible stuck state when running Molpro on NFS drive)   Gregory Magoon
• [molpro-user] ROTATE orbitals directive in CASSCF, keeping a stable active space for RASSCF, disabling orbital optimisation in CASSCF   Bartosz Chmura
• [molpro-user] ROTATE orbitals directive in CASSCF, keeping a stable active space for RASSCF, disabling orbital optimisation in CASSCF   Leon Freitag
• [molpro-user] Saving transition density matrices from EOM-CCSD calculation   Hugo Martiniano
• [molpro-user] Saving transition density matrices from EOM-CCSD calculation   Tatiana Korona
• [molpro-user] silver dimer optimization input   Berkay Sütay
• [molpro-user] silver dimer optimization input   Kirk Peterson
• [molpro-user] State-average MCSCF gradients with RS2   Raffaele Borrelli

Last message date: Thu Jul 28 09:41:52 BST 2011
Archived on: Fri Apr 4 12:08:45 BST 2014

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