August 2005 Archives by thread

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Starting: Fri Aug 5 05:54:41 BST 2005
Ending: Wed Aug 31 20:54:55 BST 2005
Messages: 27

[molpro-user] ERROR: INTERNAL ORBITALS NOT ORTHONORMAL Daniel Brue
[molpro-user] SO tests failing for 64bit molpro. Holger Naundorf
[molpro-user] MCRESTRICT Yann P. Tambouret
[molpro-user] GRADIENT NORM NOT ZERO! Li, Jun
[molpro-user] multiple core specifications in one input Brian
- [molpro-user] multiple core specifications in one input Kirk Peterson
  - [molpro-user] multiple core specifications in one input Peter Knowles
[molpro-user] Restarting forward-difference frequencies calculation Dr Seth OLSEN
[molpro-user] disk space in CCSD(T) and integral thresholds Fabio Mariotti
[molpro-user] Failing tests on Opteron System. Fabio Mariotti
[molpro-user] large direct MP2 problems Kirk Peterson
[molpro-user] printing out of T1 amplitudes Kirk Peterson
[molpro-user] Basis set corrected Frequency Jeremy Merritt
[molpro-user] Annihilate S error Yann P. Tambouret
[molpro-user] ccsd(t) frequencies Omololu
- [molpro-user] ccsd(t) frequencies Li, Jun
  - [molpro-user] ccsd(t) frequencies Kadir Diri
[molpro-user] Spin-Orbit /basis set problem? Evans, Dr C.J.
[molpro-user] Molpro 2005 Joseph Lane
[molpro-user] electrostatic potential Dr Seth Olsen
[molpro-user] Molpro 2002.6 on Altix Itanium 2/Problem with Molcas angular.f Jacek Klos
[molpro-user] FCI calculation for H3 Bastiaan J. Braams
- [molpro-user] FCI calculation for H3 Peter Knowles

Last message date: Wed Aug 31 20:54:55 BST 2005
Archived on: Fri Apr 4 12:08:34 BST 2014

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