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[ESPResSo-users] Energy minimization at C level
From: |
Lei Liu |
Subject: |
[ESPResSo-users] Energy minimization at C level |
Date: |
Thu, 17 Jan 2013 16:07:00 +0100 |
Dear all,
I need to do lots of energy minimization with Espresso at the moment.
Dose anyone has experience in implementing energy minimization functionality,
with whatever method (e.g. deepest descent), in the core of Espresso ?
It is best not at the TCL interface level, because I hope it is faster.
Any advice would be much appreciated.
Best regards
Lei Liu
- [ESPResSo-users] Energy minimization at C level,
Lei Liu <=