March 2014 Archives by date

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Starting: Sat Mar 1 05:23:56 GMT 2014
Ending: Mon Mar 31 11:58:47 BST 2014
Messages: 55

• [molpro-user] Expectation of second moment and kinetic energy   Yannis Petousis
• [molpro-user] MRCISD+Q calculations   Dawid das
• [molpro-user] MRCISD+Q calculations   Kirk Peterson
• [molpro-user] MRCISD+Q calculations   Dawid das
• [molpro-user] Expectation of second moment and kinetic energy   Peter Knowles
• [molpro-user] Expectation of second moment and kinetic energy   Jacky LIEVIN
• [molpro-user] Calculation of the properties of the outermost electron of an atom   sasha medvedev
• [molpro-user] Calculation of the properties of the outermost electron of an atom   Tatiana Korona
• [molpro-user] Saving final orbitals into actual file.   Dawid das
• [molpro-user] Saving final orbitals into actual file.   Grant Hill
• [molpro-user] Too many active orbitals.   Dawid das
• [molpro-user] Too many active orbitals.   Evgeniy Gromov
• [molpro-user] GDIRECT: memory usage and speed   Lorenzo Lodi
• [molpro-user] CI program hanging up.   Dawid das
• [molpro-user] installation on a cray XE6   Shachar Klaiman
• [molpro-user] Error: SINGULARITY IN SCHMIDT ORTHOGONALISER   rajgopal tammineni
• [molpro-user] Linear Molecules and MP2 Frequnecies   Simperler, Alexandra
• [molpro-user] Error: SINGULARITY IN SCHMIDT ORTHOGONALISER   Jacek Antoni Klos
• [molpro-user] Calculation of the properties of the outermost electron of an atom   sasha medvedev
• [molpro-user] Error: SINGULARITY IN SCHMIDT ORTHOGONALISER   rajgopal tammineni
• [molpro-user] Linear Molecules and MP2 Frequnecies   Simperler, Alexandra
• [molpro-user] Linear Molecules and MP2 Frequnecies   Peter Knowles
• [molpro-user] Linear Molecules and MP2 Frequnecies   Simperler, Alexandra
• [molpro-user] Error: NON-ZERO P-SPACE GRADIENT.   rajgopal tammineni
• [molpro-user] Operand Type Mismtach error   Nayla El-Kork
• [molpro-user] wfu file   Jyotirmoy Ray
• [molpro-user] UMP2/uhf for natrual orbitals   Hans-Joachim Werner
• [molpro-user] UMP2/uhf for natrual orbitals   Tatiana Korona
• [molpro-user] Insufficient Memory   Samir Tohme
• [molpro-user] Discrepancy in the two electron integrals with and without symetry   Elisa Rebolini
• [molpro-user] Memory per processor.   Dawid das
• [molpro-user] FciMCPar.F90(305): error #8178:   Aristotle Papakondylis
• [molpro-user] Memory per processor.   Andy May
• [molpro-user] FciMCPar.F90(305): error #8178:   Andy May
• [molpro-user] Insufficient Memory   Andy May
• [molpro-user] Insufficient Memory   Peter Knowles
• [molpro-user] Insufficient Memory   Samir Tohme
• [molpro-user] Insufficient Memory   Andy May
• [molpro-user] Memory per processor.   Evgeniy Gromov
• [molpro-user] MRCC interface   Rika Kobayashi
• [molpro-user] Printing Coefficients and Matrices - Scientific notation possible?   Yannis Petousis
• [molpro-user] Problem in Installing MOLPRO version 2012.1.8   G Mahesh
• [molpro-user] PUTLST and GETLST error in compiling MRCC   Chen Jun
• [molpro-user] PUTLST and GETLST error in compiling MRCC   Andy May
• [molpro-user] Problem in Installing MOLPRO version 2012.1.8   Andy May
• [molpro-user] CI problem   Apostolos Kalemos
• [molpro-user] Printing Coefficients and Matrices - Scientific notation possible?   Kirk Peterson
• [molpro-user] compile molpro for more than 20 state MRCI calculation   김영록
• [molpro-user] MRCIC   Shachar Klaiman
• [molpro-user] compile molpro for more than 20 state MRCI calculation   Andy May
• [molpro-user] CI problem   Andy May
• [molpro-user] Operand Type Mismtach error   Andy May
• [molpro-user] installation on a cray XE6   Andy May
• [molpro-user] NOT ENOUGH SYMMETRY ADAPTED P-SPACE CONFIGURATIONS FOUND   Qinghua Cao
• [molpro-user] CI program hanging up.   Andy May

Last message date: Mon Mar 31 11:58:47 BST 2014
Archived on: Fri Apr 4 12:08:52 BST 2014

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