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WebMO Support Forum » Feature Requests » Additional Computational Engines « Previous Next »

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Anonymous
Posted on Monday, July 03, 2000 - 11:42 am:   

Does WebMO support computational engines besides Gaussian?
schmidt
Posted on Wednesday, July 05, 2000 - 9:44 am:   

WebMO version 1.1 adds support for MOPAC 6/7 and GAMESS in addition to Gaussian 94/98.
Paul Siders
Unregistered guest
Posted on Friday, July 27, 2007 - 9:05 am:   

Administrator users can also add other computational engines. One must copy and edit a few files. For example, the atomic DFT pseudopotential code atom (JL Martins) runs pretty well under webmo.
Christian Grunwald
Unregistered guest
Posted on Thursday, December 11, 2008 - 9:45 am:   

I would like to add VAMP. Which files have to be copied and edited? Does somebody have this interface available?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 62
Registered: 11-2006
Posted on Thursday, December 11, 2008 - 9:49 am:   

We have documentation available about how one can go about adding a computational engine. (It is not trivial, but also not too difficult.) Please contact me by email for further information.
E Hulley
Unregistered guest
Posted on Monday, February 17, 2014 - 3:31 pm:   

Will Orca ever be made into a default program for WebMO?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 388
Registered: 11-2006
Posted on Monday, February 17, 2014 - 3:40 pm:   

We are consider Orca for the next release of WebMO, as there has been considerable interest.
Cu Phung
Unregistered guest
Posted on Saturday, October 17, 2015 - 2:50 pm:   

The current to support of WebMO supposed ORCA, but it does not seem to be in the Windows version. Can you elaborate on that.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 475
Registered: 11-2006
Posted on Saturday, October 17, 2015 - 3:44 pm:   

Interesting. I didn't realize there were Orca binaries for Windows. This should be a trivial addition. Should be in the next minor release.
Cu Phung
Unregistered guest
Posted on Saturday, October 17, 2015 - 7:45 pm:   

I also saw there is support for Quantum ESPRESSO, but not for the windows version either. Can you please add that, too. Thanks in advance!
Cu Phung
Unregistered guest
Posted on Sunday, October 18, 2015 - 2:18 pm:   

There is a version of WebMO for android, but only through google play. Can it be access through the Amazon Store?
Cu Phung
Unregistered guest
Posted on Sunday, November 01, 2015 - 12:31 am:   

Thanks for upgrading ORCA features in the new Windows version of WebMO 16.
Cu Phung
Unregistered guest
Posted on Friday, February 05, 2016 - 1:36 pm:   

Just install MOPAC2016. It can run in WebMO, but it report the job as FAILD evn it was terminated normally. Please add PM7 and PM7-TS in the keyewords. Did you fix the NMR output for ORCA yet?
John Keller
Unregistered guest
Posted on Tuesday, February 16, 2016 - 3:17 pm:   

This is the same problem that occurred when users were forced to upgrade to mopac2012 from mopac2009. We are now forced to upgrade to mopac2016 from mopac2012. The fix is to edit parse_mopac.cgi on your webmo server as described in my post of Jan 15, 2013. Search this forum for "mopac2012" it is the top hit. So use vim or gedit to duplicate the "mopac2012" section, then change 2012 to 2016. It works. Check out http://chem.uaf.edu/facilities/WebMO/ log on as guest password webmo, choose mopac and server "Chemlinux3".
JR Schmidt
Moderator
Username: Schmidt

Post Number: 494
Registered: 11-2006
Posted on Tuesday, February 16, 2016 - 3:24 pm:   

This the main fix. There may be other small parsing tweaks as well. There will be a "bugfix" release of WebMO 16 in a week or two. This will incorperate these changes.
T. Andrew Mobley
Unregistered guest
Posted on Tuesday, August 23, 2016 - 4:40 pm:   

Any plans for incorporating ADF into WebMO?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 520
Registered: 11-2006
Posted on Wednesday, August 24, 2016 - 2:16 pm:   

Yes, this is on the future "to do" list.
David Schiessel
Unregistered guest
Posted on Monday, October 31, 2016 - 12:12 am:   

Is there any chance that Dalton or LSDalton would be supported in the future?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 538
Registered: 11-2006
Posted on Monday, October 31, 2016 - 11:46 am:   

We have discussed Dalton support but never moved forward. This is still a discussion item for the future.

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