WebMO - Computational chemistry on the WWW
Recent news

WebMO 17.0 is now available for free download!

WebMO 17.0 Pro and Enterprise have a variety of additional features and is available for purchase.

The WebMO app is now available for iOS and Android.

August 17, 2019

MOPAC2016 version 16.276L Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Running WebMO Jobs » Other » MOPAC2016 version 16.276L « Previous Next »

Author Message
John Keller
Unregistered guest
Posted on Wednesday, October 05, 2016 - 1:30 am:   

Geometry optimization using the latest version of MOPAC2016 requires the keyword FLEPO (full energy print out) in order for WebMO to display the energy vs optimization cycle graph. Without the FLEPO keyware, this version of MOPAC2016 prints only a summary table of energies, which is not parsed by WebMO. Adding the keyword to the MOPAC Geometry Optimization template fixes the plot for version 16.276L. Also, this does not break the plot for earlier versions such as 16.043L, which dates from February 2016.

Add Your Message Here
Post:
Username: Posting Information:
This is a public posting area. Enter your username and password if you have an account. Otherwise, enter your full name as your username and leave the password blank. Your e-mail address is optional.
Password:
E-mail:
Options: Post as "Anonymous"
Enable HTML code in message
Automatically activate URLs in message
Action:

Topics | Last Day | Last Week | Tree View | Search | Help/Instructions | Program Credits Administration