May 2012 Archives by subject

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Starting: Tue May 1 21:12:21 BST 2012
Ending: Thu May 31 07:30:43 BST 2012
Messages: 41

• [molpro-user] 'state' option in ccsd(t)   samala nagaprasad reddy
• [molpro-user] 128 cores limit?   Marcela Madrid
• [molpro-user] 128 cores limit?   Manhui Wang
• [molpro-user] About Spin-orbit coulping calculation   郑利敏
• [molpro-user] About Spin-orbit coulping calculation   Kirk Peterson
• [molpro-user] Bader's atoms in molecule analysis with molpro?   Lorenzo Lodi
• [molpro-user] Bader's atoms in molecule analysis with molpro?   Tatiana Korona
• [molpro-user] Bader's atoms in molecule analysis with molpro?   Anatoliy Volkov
• [molpro-user] Bader's atoms in molecule analysis with molpro?   Lorenzo Lodi
• [molpro-user] CCS(T) calculation restart   Vera Cathrine
• [molpro-user] CCS(T) calculation restart   Peter Knowles
• [molpro-user] checkpoint file   Asma
• [molpro-user] complex expressions   LUTZ J.
• [molpro-user] complex expressions   Peter Knowles
• [molpro-user] complex expressions   Kirk Peterson
• [molpro-user] complex expressions (LUTZ J.)   Jayashree
• [molpro-user] contracted /uncontracted basis sets in spin-orbit coupling calculation   Hartree
• [molpro-user] Convergence thresholds in UHF-SCF calculations   Amrit Jalan
• [molpro-user] Convergence thresholds in UHF-SCF calculations   Neeraj Rai
• [molpro-user] Convergence thresholds in UHF-SCF calculations   Kirk Peterson
• [molpro-user] Convergence thresholds in UHF-SCF calculations   Amrit Jalan
• [molpro-user] Error: too many records   Martin Ratschek
• [molpro-user] Error: too many records   Manhui Wang
• [molpro-user] F12 core/valence correction problem   Simmie, John
• [molpro-user] F12 core/valence correction problem   Kirk Peterson
• [molpro-user] HOMO energies   Napolion Williams
• [molpro-user] HOMO energies   Tatiana Korona
• [molpro-user] how to restart a uccsd(t) calculation?   Vera Cathrine
• [molpro-user] LCC2 population analysis   Borys Szefczyk
• [molpro-user] LCC2 population analysis   Dan Kats
• [molpro-user] LCC2 population analysis   Borys Szefczyk
• [molpro-user] LCC2 population analysis   Dan Kats
• [molpro-user] Locally installed documentation ?   Irikura, Karl K. Dr.
• [molpro-user] memory usage   Keith McLaughlin
• [molpro-user] memory usage   Neeraj Rai
• [molpro-user] memory usage   Keith McLaughlin
• [molpro-user] Not a bug exactly but   Simmie, John
• [molpro-user] Not a bug exactly but   Andy May
• [molpro-user] permanently the same error before integral transformation completion   Berkay Sütay
• [molpro-user] permanently the same error before integral transformation completion   Neeraj Rai
• [molpro-user] Why Don't Variables Work For Setting SA-CASSCF Parameters Outside of Command Block?   Andy May

Last message date: Thu May 31 07:30:43 BST 2012
Archived on: Thu May 31 07:40:28 BST 2012

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