February 2013 Archives by date

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Starting: Fri Feb 1 07:15:26 GMT 2013
Ending: Thu Feb 28 16:50:29 GMT 2013
Messages: 55

• [molpro-user] parallel UCCSD error: ? Field YZMAT not defined in mpp_state=2   Hans-Joachim Werner
• [molpro-user] Around CASSCF transition state optimizations.   Sve N
• [molpro-user] Unclear failure of two molpro tests, ch2_rs2_f12.test and lif_nacme_bo.test   Evgeniy Gromov
• [molpro-user] CASSCF error   Эльдар Мамин
• [molpro-user] CASSCF error   Andy May
• [molpro-user] problems with global file system when running in parallel   Jörg Saßmannshausen
• [molpro-user] problems with global file system when running in parallel   Jeff Hammond
• [molpro-user] imaginary shift in RS2 and RS2C   Artur Nenov
• [molpro-user] imaginary shift in RS2 and RS2C   Hans-Joachim Werner
• [molpro-user] problems with global file system when running in parallel   Jörg Saßmannshausen
• [molpro-user] casscf error   Эльдар Мамин
• [molpro-user] problems with global file system when running in parallel   Manhui Wang
• [molpro-user] problems with global file system when running in parallel   Jörg Saßmannshausen
• [molpro-user] A problem with one of the tests   Shachar Klaiman
• [molpro-user] Error in transition state search.   Эльдар Мамин
• [molpro-user] CPMCSCF - no. iterations and sourcecode changes   Sve N
• [molpro-user] what is micro-iteration?   Luck luck
• [molpro-user] compiling c++ part of code with IBM compiler   amit sharma
• [molpro-user] casscf error   Andy May
• [molpro-user] DF-LCCSD(T) problem: crash with larger basis set   Jörg Saßmannshausen
• [molpro-user] DF-LCCSD(T) problem: crash with larger basis set   Jörg Saßmannshausen
• [molpro-user] Problem with awcvxz-pp basis set?   Taube, Andrew
• [molpro-user] 32 active orbitals issue   Evgeniy Gromov
• [molpro-user] 32 active orbitals issue   Hans-Joachim Werner
• [molpro-user] 32 active orbitals issue   Evgeniy Gromov
• [molpro-user] 32 active orbitals issue   Evgeniy Gromov
• [molpro-user] compiling c++ part of code with IBM compiler   Andy May
• [molpro-user] A problem with one of the tests   Andy May
• [molpro-user] Too many domains needed in LT-DF-LCC2   Benj FitzPatrick
• [molpro-user] compiling c++ part of code with IBM compiler   Jeff Hammond
• [molpro-user] compiling c++ part of code with IBM compiler   amit sharma
• [molpro-user] compiling c++ part of code with IBM compiler   Jeff Hammond
• [molpro-user] problem with SLAPAF constraint   Shachar Klaiman
• [molpro-user] failure of qcisd optg   Shachar Klaiman
• [molpro-user] MRCI on Xeon E5-2650 (MPI parallel)   Grant Hill
• [molpro-user] MRCI on Xeon E5-2650 (MPI parallel)   Grant Hill
• [molpro-user] MRCI on Xeon E5-2650 (MPI parallel)   Andy May
• [molpro-user] noncanonical orbitals in CCSD-F12   Mariusz Radon
• [molpro-user] noncanonical orbitals in CCSD-F12   Kirk Peterson
• [molpro-user] geometry optimization   Borys Szefczyk
• [molpro-user] trial program   Nebojsa Begovic
• [molpro-user] trial program   Andy May
• [molpro-user] possible bug: moldpro not releasing deleted scratch files   Jörg Saßmannshausen
• [molpro-user] possible bug: moldpro not releasing deleted scratch files   Andy May
• [molpro-user] possible bug: moldpro not releasing deleted scratch files   Jörg Saßmannshausen
• [molpro-user] ab initio multiple spawning dynamics   Sabyashachi Mishra
• [molpro-user] problem occurs in readw   hstringf at purdue.edu
• [molpro-user] problem occurs in readw   Jacek Antoni Klos
• [molpro-user] problem with SLAPAF constraint   Andy May
• [molpro-user] failure of qcisd optg   Andy May
• [molpro-user] failure of qcisd optg   Andy May
• [molpro-user] Strange Occupation Numbers for CIS Natural Orbitals   Benjamin Levine
• [molpro-user] noncanonical orbitals in CCSD-F12   Mariusz Radon
• [molpro-user] Nonconvergence with constraints   Dmitriy Sharapa
• [molpro-user] Parallel MOLPRO   Emanuele Coccia

Last message date: Thu Feb 28 16:50:29 GMT 2013
Archived on: Fri Apr 4 12:08:48 BST 2014

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