rccsd
H. -J. Werner
werner at theochem.uni-stuttgart.de
Tue Sep 3 16:17:10 BST 2002
Dear Molpro-users,
by mistake experimental and unefficient code has been applied
to molpro2002.3 with patch rccsd. This could lead to substantially
longer cpu-times for rccsd calculations. There is now a new
patch rccsd2 which recovers the old version, except
that the effect of patch t1diag_uccsd2, which is also
superceded, is included.
I appologize for any inconvenience this might have caused.
Joachim Werner
--
Prof. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart, Germany
Tel.: (0049) 711 / 685 4400
Fax.: (0049) 711 / 685 4442
e-mail: werner at theochem.uni-stuttgart.de
More information about the Molpro-user
mailing list