January 2011 Archives by date
Starting: Sat Jan 1 23:34:33 GMT 2011
Ending: Mon Jan 31 13:22:03 GMT 2011
Messages: 57
- [molpro-user] Jensen basis sets in molpro ( pc-3 problem for oxygen)
Teobald Kupka
- [molpro-user] Jensen basis sets in molpro ( pc-3 problem for oxygen)
Kirk Peterson
- [molpro-user] Jensen basis sets in molpro ( pc-3 problem for oxygen)
Toru Shiozaki
- [molpro-user] Jensen basis sets in molpro ( pc-3 problem for oxygen)
Gerald Knizia
- [molpro-user] permanent dipole moment
Łukasz Miądowicz
- [molpro-user] Molpro-user Digest, Vol 30, Issue 1
Teobald Kupka
- [molpro-user] permanent dipole moment
Kirk Peterson
- [molpro-user] Regarding usage of effective core potentials for fluorine atom
syed aleem
- [molpro-user] Regarding usage of effective core potentials for fluorine atom
Kirk Peterson
- [molpro-user] Regarding usage of effective core potentials for fluorine atom
Gerald Knizia
- [molpro-user] infiniband latency
Mintz, Benjamin J.
- [molpro-user] Regarding usage of effective core potentials for fluorine atom
Kirk Peterson
- [molpro-user] infiniband latency
Manhui Wang
- [molpro-user] dipole-quadrupole molecular polarizability tensors
Elking, Denny (NIH/NIEHS) [G]
- [molpro-user] dipole-quadrupole molecular polarizability tensors
Tatiana Korona
- [molpro-user] Energy doesn't match wrt to opt and Freq for BH2 radical in SA-CASSCF
t s venkatesan
- [molpro-user] CASPT2 error
Alexander Sokolov
- [molpro-user] CASPT2 error
Kirk Peterson
- [molpro-user] CASPT2 error
Gerald Knizia
- [molpro-user] Energy doesn't match wrt to opt and Freq for BH2 radical in SA-CASSCF
Gerald Knizia
- [molpro-user] infiniband latency
Martin Diefenbach
- [molpro-user] CASPT2 error
Sham
- [molpro-user] Problem reading IPEA option to RS2
Seth Olsen
- [molpro-user] Problem reading IPEA option to RS2
Rika Kobayashi
- [molpro-user] Problem reading IPEA option to RS2
Hans-Joachim Werner
- [molpro-user] Optg and Numerical Hessian
Tsuneo Hirano
- [molpro-user] Optg and Numerical Hessian
Hans-Joachim Werner
- [molpro-user] Optg and Numerical Hessian
Tsuneo Hirano
- [molpro-user] NO CONVERGENCE OF CP-MCSCF
Shireen Falah
- [molpro-user] orbitals symmetry in molpro output
Shireen Falah
- [molpro-user] too many records error
Kirk Peterson
- [molpro-user] too many records error
Andy May
- [molpro-user] Overlap integrals
Ulises Miranda
- [molpro-user] Overlap integrals
Gerald Knizia
- [molpro-user] problem in installing
Rajagopala Reddy seelam
- [molpro-user] problem in installing
Andy May
- [molpro-user] caspt3 excited states
Mintz, Benjamin J.
- [molpro-user] caspt3 excited states
Toru Shiozaki
- [molpro-user] Problem in installing
Rajagopala Reddy seelam
- [molpro-user] Problem in installing
Andy May
- [molpro-user] caspt3 excited states (lydia)
lydia
- [molpro-user] caspt3 excited states
Mintz, Benjamin J.
- [molpro-user] parallel task control
Mintz, Benjamin J.
- [molpro-user] Help with QSDpath
Robin Shannon
- [molpro-user] problem in installing
Konstantin Tokarev
- [molpro-user] parallel task control
Andy May
- [molpro-user] parallel task control
Mintz, Benjamin J.
- [molpro-user] Help with QSDpath
Fedor Goumans
- [molpro-user] problem in running molpro reg
Rajagopala Reddy seelam
- [molpro-user] caspt3 error
Mintz, Benjamin J.
- [molpro-user] caspt3 error
Mintz, Benjamin J.
- [molpro-user] What's wrong with my input?
GHOFFMAN
- [molpro-user] What's wrong with my input?
Hill, John Grant
- [molpro-user] What's wrong with my input?
Andy May
- [molpro-user] What's wrong with my input?
Sham
- [molpro-user] caspt3 error
Manhui Wang
- [molpro-user] caspt3 error
Andy May
Last message date:
Mon Jan 31 13:22:03 GMT 2011
Archived on: Fri Apr 4 12:08:44 BST 2014
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