December 2012 Archives by subject

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Starting: Sun Dec 2 16:51:11 GMT 2012
Ending: Thu Dec 27 16:31:58 GMT 2012
Messages: 42

• [molpro-user] 2012.1 build with latest ifort   Andy May
• [molpro-user] 2012.1 build with slurm/mvapich2   Martin Diefenbach
• [molpro-user] 2012.1 build with slurm/mvapich2   Andy May
• [molpro-user] A bug of CASPT2-F12 numerical gradient?   SCAr Chung
• [molpro-user] A bug of CASPT2-F12 numerical gradient?   Hans-Joachim Werner
• [molpro-user] A bug of CASPT2-F12 numerical gradient?   SCAr Chung
• [molpro-user] Adding point charges, how to do it correctly?   Evgeniy Gromov
• [molpro-user] Can quasi-diabatic densities be saved for property evaluation?   Seth Olsen
• [molpro-user] CASPT2 optimisation of excited states.   Andy May
• [molpro-user] CASPT2 optimisation of excited states.   Andy May
• [molpro-user] Combination of symmetry and lattice   Jan Mitschker
• [molpro-user] Compiling Molpro with OpenMPI   Lasse Nielsen
• [molpro-user] Compiling Molpro with OpenMPI   Andy May
• [molpro-user] cross-compiling 2012.1 using PGI compiler for Sandy Bridge architecture   Andy May
• [molpro-user] cross-compiling 2012.1 using PGI compiler for Sandy Bridge architecture   Kirk Peterson
• [molpro-user] Error compiling molpro with ifort version 11.1 20090827   Lasse Nielsen
• [molpro-user] Error compiling molpro with ifort version 11.1 20090827   Andy May
• [molpro-user] Error reading from file 5 in EOM-CCSD?   Jiahao Chen
• [molpro-user] errors in binary Molpro2010   冰 闫
• [molpro-user] errors in binary Molpro2010   Andy May
• [molpro-user] Error upon installation of Molpro2012.1   Evgeniy Gromov
• [molpro-user] Error upon installation of Molpro2012.1   Andy May
• [molpro-user] Error upon installation of Molpro2012.1   Evgeniy Gromov
• [molpro-user] Hello, I have a question to ask   xu_enhua
• [molpro-user] Heoo, I have a question to ask   xu_enhua
• [molpro-user] Heoo, I have a question to ask   Peter Knowles
• [molpro-user] Heoo, I have a question to ask   Dan Kats
• [molpro-user] How to do the double d-shell casscf calculation ??   章晓斌
• [molpro-user] How to do the double d-shell casscf calculation ??   Wanyi Jiang
• [molpro-user] mcscf problems   Valentina Cantatore
• [molpro-user] Properties evaluation on quasi-diabatic states?   Seth Olsen
• [molpro-user] relaxed Pople cluster corrections   harding
• [molpro-user] relaxed Pople cluster corrections   Andy May
• [molpro-user] SAPT-DFT   Fangfang Zhou
• [molpro-user] SAPT-DFT   Andy May
• [molpro-user] SAPT_DFT   brijesh kumar
• [molpro-user] SAPT_DFT   Andreas Hesselmann
• [molpro-user] Spin density   Aris Mitropoulos
• [molpro-user] Testjobs   Lasse Nielsen
• [molpro-user] Testjobs   Andy May
• [molpro-user] use "core" on unoccupied orbitals?   CC XX
• [molpro-user] 回复： errors in binary Molpro2010   Andy May

Last message date: Thu Dec 27 16:31:58 GMT 2012
Archived on: Fri Apr 4 12:08:48 BST 2014

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