June 2013 Archives by subject
Starting: Sat Jun 1 08:08:47 BST 2013
Ending: Sun Jun 30 16:48:27 BST 2013
Messages: 68
- [molpro-user] "Decompression error" with parallel molpro
R. David
- [molpro-user] "Decompression error" with parallel molpro
Andy May
- [molpro-user] -nocxx option when configuring Molpro installation
Evgeniy Gromov
- [molpro-user] -nocxx option when configuring Molpro installation
Andy May
- [molpro-user] -nocxx option when configuring Molpro installation
Evgeniy Gromov
- [molpro-user] -nocxx option when configuring Molpro installation
Andy May
- [molpro-user] A question about LMP2
Yang Guo
- [molpro-user] A question about LMP2
Hans-Joachim Werner
- [molpro-user] A short technical question on EOM-CCSD in Molpro
Evgeniy Gromov
- [molpro-user] Cannot find default basis AVTZ for atom He for CCSD(T)-F12 calculation
zhenglimin
- [molpro-user] Cannot find default basis AVTZ for atom He for CCSD(T)-F12 calculation
Grant Hill
- [molpro-user] Cannot find default basis AVTZ for atom He for CCSD(T)-F12 calculation
Andy May
- [molpro-user] CCSD restart
Shachar Klaiman
- [molpro-user] Continuing a previous calculation involving do loops
Robin Shannon
- [molpro-user] CP-MCSCF convergence
Hrusak Jan
- [molpro-user] DDR procedure
diwaker kumar
- [molpro-user] DDR procedure
Peterson, Kirk
- [molpro-user] error
Shachar Klaiman
- [molpro-user] error
Manhui Wang
- [molpro-user] error
Shachar Klaiman
- [molpro-user] error
Andy May
- [molpro-user] error during executation of molpro
ancborin at iq.usp.br
- [molpro-user] error during executation of molpro
Andy May
- [molpro-user] Forces with CCSD(T)
Gabriel Freitas
- [molpro-user] Forces with CCSD(T)
Peterson, Kirk
- [molpro-user] Functionality of new MRCIC code
Lorenzo Lodi
- [molpro-user] Fwd: C8 disp coefficient
Yulia Kalugina
- [molpro-user] Fwd: C8 disp coefficient
Tatiana Korona
- [molpro-user] Fwd: C8 disp coefficient
Yulia Kalugina
- [molpro-user] Gradients with integral direct calculations
Gabriel Freitas
- [molpro-user] Gradients with integral direct calculations
Werner Gyorffy
- [molpro-user] How good is GPU-boost in Molpro, in particular for CCSD, EOM-CCSD calculations
Evgeniy Gromov
- [molpro-user] How good is GPU-boost in Molpro, in particular for CCSD, EOM-CCSD calculations
Jeff Hammond
- [molpro-user] How good is GPU-boost in Molpro, in particular for CCSD, EOM-CCSD calculations
Evgeniy Gromov
- [molpro-user] How to core electron
yangchuanlu
- [molpro-user] How to core electron
Peterson, Kirk
- [molpro-user] Many-body expansion module in molpro 2012.1 / input file format
Richard Hatz
- [molpro-user] Many-body expansion module in molpro 2012.1 / input file format
Andy May
- [molpro-user] molpro command not found
elkeshavarz5 at sci.ui.ac.ir
- [molpro-user] molpro command not found
Andy May
- [molpro-user] molpro command not found
elkeshavarz5 at sci.ui.ac.ir
- [molpro-user] MP2 Calculations - Does Molpro freeze the core electrons for the MP2 method?
Brian Napolion
- [molpro-user] MP2 Calculations - Does Molpro freeze the core electrons for the MP2 method?
Peterson, Kirk
- [molpro-user] no check error
diwaker kumar
- [molpro-user] Octupole Moments via Finite Field
Christian Cioce
- [molpro-user] printing scf orbital energies with more digits
Shachar Klaiman
- [molpro-user] printing scf orbital energies with more digits
Peter Knowles
- [molpro-user] printing scf orbital energies with more digits
Zork Zou
- [molpro-user] printing scf orbital energies with more digits
Tatiana Korona
- [molpro-user] printing scf orbital energies with more digits
Shachar Klaiman
- [molpro-user] query
diwaker kumar
- [molpro-user] Question on MRCI energies in multi-state calculations
Lorenzo Lodi
- [molpro-user] Question on MRCI energies in multi-state calculations
Peterson, Kirk
- [molpro-user] RCCSD and UCCSD total energy
Quan Phung
- [molpro-user] Shared memory question in CCSD(T) calculations
Jani Salo
- [molpro-user] Shared memory question in CCSD(T) calculations
Manhui Wang
- [molpro-user] Shared memory question in CCSD(T) calculations
Jani Salo
- [molpro-user] Shared memory question in CCSD(T) calculations
Manhui Wang
- [molpro-user] Shared memory question in CCSD(T) calculations
Sve N
- [molpro-user] Some problems with nevPT2 and CASPT2 calculations.
Łukasz Wolański
- [molpro-user] strategy for MCSCF excited state geometry optimization
Hrusak Jan
- [molpro-user] timelimit error
elkeshavarz5 at sci.ui.ac.ir
- [molpro-user] timelimit error
Andy May
- [molpro-user] Time limit exceded - AIMS
Gabriel Freitas
- [molpro-user] Time limit exceded - AIMS
Andy May
- [molpro-user] Too many records - reservem
Gabriel Freitas
- [molpro-user] Too many records - reservem
Hans-Joachim Werner
- [molpro-user] two configuration SCF with fixed coefficients
David Danovich
Last message date:
Sun Jun 30 16:48:27 BST 2013
Archived on: Fri Apr 4 12:08:50 BST 2014
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