Re: [Jmol-users] bugs in version 13

2013-07-25 Thread Jaime Prilusky
On Jul 24, 2013, at 2:47 PM, Robert Hanson wrote: OK, this is fixed. http://chemapps.stolaf.edu/jmol-13.3.3_2013.07.24.zip No visible side effects at http://ispcsrv.weizmann.ac.il/a2jmolb/browse Jaim -- See everything

[Jmol-users] bugs in version 13

2013-07-23 Thread Manohar Awasthi
Dear Jmol users, I would like to point out a bug in jmol version 13.0.8 and also the latest version 13.2.0 when used to load a nwchem output file. The following message is copied pasted from the jmol console: #

Re: [Jmol-users] bugs in version 13

2013-07-23 Thread Robert Hanson
Definitely no = after the E on those lines? That would be the problem. I will adapt Jmol to read this NWCHEM version's log file. Could you send me (hans...@stolaf.edu) an example that I can put into our test set, please? On Tue, Jul 23, 2013 at 11:33 AM, Manohar Awasthi manohar.awas...@gmail.com

Re: [Jmol-users] bugs in version 13

2013-07-23 Thread Robert Hanson
Please do send me a sample file. I have a question about MOs: There are several kinds, ROHF UHF, and DFT. How should we discriminate among these? On Tue, Jul 23, 2013 at 2:17 PM, Robert Hanson hans...@stolaf.edu wrote: Definitely no = after the E on those lines? That would be the problem. I