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Visualize forces for runtyp=gradient ... Log Out | Topics | Search
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WebMO Support Forum » Feature Requests » Visualize forces for runtyp=gradient jobs? « Previous Next »

Author Message
Thomas Patko
Unregistered guest
Posted on Friday, November 28, 2008 - 8:27 pm:   

Is it possible to visualize forces for gradient type runjobs in GAMESS and PC-GAMESS? This is currently possible with Chemcraft but it would be nice to have this feature available in WebMO. If this feature is currently available and I missed it, please let me know.

This would be good assist with things like basis set selection, BSSE isssues for difficult geometry optimization.
JR Schmidt
Username: Schmidt

Post Number: 56
Registered: 11-2006
Posted on Sunday, November 30, 2008 - 7:25 pm:   

This is an interesting idea. I will add it on the list for a future version.

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