December 2016 Archives by author
Starting: Wed Dec 7 17:32:47 CET 2016
Ending: Fri Dec 30 07:13:29 CET 2016
Messages: 27
- [molpro-user] About Size consistent problem in O2H+
CheikhTidiane BOP
- [molpro-user] Forcing occupation numbers for HF initial guess
Nike Dattani
- [molpro-user] Molpro-user Digest, Vol 101, Issue 8
Nike Dattani
- [molpro-user] Ask help on molpro calculation as a new user
Terry Frankcombe
- [molpro-user] Density Fitting for Dunning DZP basis?
Werner Győrffy
- [molpro-user] Calculation of C6 and C9 dispersion coefficients in propag_util.F and new_propag_util.F
Paul Jerabek
- [molpro-user] molpro command not found
Tatiana Korona
- [molpro-user] Calculation of C6 and C9 dispersion coefficients in propag_util.F and new_propag_util.F
Tatiana Korona
- [molpro-user] Fwd: Forcing occupation numbers for HF initial guess
Jacky LIEVIN
- [molpro-user] Gradients for SA-CASSCF
Wook Lee
- [molpro-user] SO calculation problem
Wanlu Li
- [molpro-user] values for --tuning-mpplat and --tuning-mppspeed
Gershom (Jan) Martin
- [molpro-user] SO calculation problem
Alexander Mitrushchenkov
- [molpro-user] Density Fitting for Dunning DZP basis?
Seth Olsen
- [molpro-user] Ask help on molpro calculation as a new user
Peterson, Kirk
- [molpro-user] Density Fitting for Dunning DZP basis?
Peterson, Kirk
- [molpro-user] Forcing occupation numbers for HF initial guess
Peterson, Kirk
- [molpro-user] SO calculation problem
Peterson, Kirk
- [molpro-user] Molpro-user Digest, Vol 101, Issue 8
Peterson, Kirk
- [molpro-user] values for --tuning-mpplat and --tuning-mppspeed
Hans-Joachim Werner
- [molpro-user] Ask help on molpro calculation as a new user
Yin,Shi
- [molpro-user] Ask help on molpro calculation as a new user
Yin,Shi
- [molpro-user] molpro command not found
hüseyin aksu
- [molpro-user] Root passed to geometry optimization in RS2
Dawid das
- [molpro-user] Limitation for number of active orbitals in RS2 in Molpro 2015.1
Dawid das
- [molpro-user] About Size consistent problem in O2H+
george
- [molpro-user] memory problem in MRCI calculation with 2015.1 version
侯世林
Last message date:
Fri Dec 30 07:13:29 CET 2016
Archived on: Fri Dec 30 09:37:12 CET 2016
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