Files
rdkit/Code/Numerics
Paolo Tosco b7ca51d98c - modified BFGSOpt.h to remove a while(1) {} loop which might result
into an infinite loop in linearSearch() with poor initial geometries
- added a relevant unit test in Code/ForceField/Wrap/testConstraints.py
2015-04-20 23:46:23 +01:00
..
2013-01-11 04:01:21 +00:00
2010-09-26 17:04:37 +00:00
2009-02-03 05:26:10 +00:00
2010-09-26 17:04:37 +00:00