October 2012 Archives by author

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Starting: Mon Oct 1 14:04:12 BST 2012
Ending: Wed Oct 31 12:48:04 GMT 2012
Messages: 27

• [molpro-user] mrcic   Jiri Czernek
• [molpro-user] FW: Chirgwin-Coulson weights of structures   Jarowski Peter Damian
• [molpro-user] DF-LCCSD(T) for open-shell   Lee E.P.F.
• [molpro-user] DF-LCCSD(T) for open-shell   Lee E.P.F.
• [molpro-user] Density fitting with ECP   Leon Freitag
• [molpro-user] Analytical gradients for DF-MULTI (DF-CASSCF)   Werner Gyorffy
• [molpro-user] Analytical gradients for DF-MULTI (DF-CASSCF) again   Werner Gyorffy
• [molpro-user] Analytical gradients for DF-MULTI (DF-CASSCF)   Toshimasa Ishida
• [molpro-user] Analytical gradients for DF-MULTI (DF-CASSCF) again   Toshimasa Ishida
• [molpro-user] Problem with CASPT2 energies for Excited states   Tolga Karsili
• [molpro-user] Lattice point of charges   Muammar El Khatib
• [molpro-user] Lattice point of charges   Muammar El Khatib
• [molpro-user] Lattice point of charges   Thierry Leininger
• [molpro-user] Lattice point of charges   Ricardo Mata
• [molpro-user] CUDA-accelerated Part of Molpro v 2012.1   Andy May
• [molpro-user] ERROR IN WRITE_DUMP: TOO MANY ENTRIES IN RECORD 8100.2 WHEN WRITING DENSITY/TRANSITION SET= 0   Andy May
• [molpro-user] How to avoid orbital mixing when changing symmetry   Seth Olsen
• [molpro-user] How to avoid orbital mixing when changing symmetry   Joaquim Jornet Somoza
• [molpro-user] How to avoid orbital mixing when changing symmetry   Joaquim Jornet Somoza
• [molpro-user] DF-MP2 Density matrix   Taube, Andrew
• [molpro-user] DF-LCCSD(T) for open-shell   Hans-Joachim Werner
• [molpro-user] Problem with CASPT2 energies for Excited states   Justyna Zurek
• [molpro-user] Analysis of CAS failure through microiterations   pauli
• [molpro-user] ERROR IN OPTVAR_VALUE: VARIABLE ECBS NOT FOUND   pauli
• [molpro-user] Spin-orbit coupling calculation problem in CI program - Number of Active orbitals   Tomáš Šolomek
• [molpro-user] some questions about "file,2,name.wfu"   付铭凯
• [molpro-user] HELP:error message appears when printing   跌而后起

Last message date: Wed Oct 31 12:48:04 GMT 2012
Archived on: Fri Apr 4 12:08:47 BST 2014

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