From NWChem
Viewed 940 times, With a total of 1 Posts
|
|
|
|
| 11:09:50 PM PDT - Mon, Mar 14th 2011 |
|
Is there a way to access the converged scf vectors and the basis contraction info from a Python tasks?
--
With best regards,
Grigory Shamov
|
|
|
-
Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
|
|
|
Forum Vet
Threads 5
Posts 590
|
|
| 12:28:19 PM PDT - Fri, Apr 1st 2011 |
|
Not at present. The Python interface would need to be extended to enable the access.
Bert
Quote: Mar 15th 6:09 amIs there a way to access the converged scf vectors and the basis contraction info from a Python tasks?
--
With best regards,
Grigory Shamov |
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC
