Tracker: Feature Requests
6
High energy calculation result with npbe - ID: 2884041
Last Update: Settings changed ( yhuang01 )
This comes from a user's email in apbs-users mailing list:
https://sourceforge.net/mailarchive/forum.php?forum_name=apbs-users&max_row
s=100&style=nested&viewmonth=200910&viewday=20
The energy calculation result is too high with npbe. It's clearly related
to a lack of convergence in the nonlinear solver which, itself, is due to
unreasonably large potential values.
Nobody/Anonymous
Numerical methods
None
Public
Comment ( 1 )
|
Date: 2009-11-06 21:02 Dave fixed it in Rev. 1422. |
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Changes ( 3 )
| Field | Old Value | Date | By |
|---|---|---|---|
| close_date | - | 2009-11-06 21:02 | yhuang01 |
| allow_comments | 1 | 2009-11-06 21:02 | yhuang01 |
| status_id | Open | 2009-11-06 21:02 | yhuang01 |
