handle not previously flagged false positives

This commit is contained in:
Axel Kohlmeyer
2020-04-06 08:28:12 -04:00
parent 592a5fac53
commit 56c07cec26
2 changed files with 14 additions and 2 deletions

View File

@ -64,7 +64,7 @@ performed using a line search algorithm. The line search typically
evaluates forces and energies several times to set new coordinates.
Currently, a backtracking algorithm is used which may not be optimal
in terms of the number of force evaluations performed, but appears to
be more robust than previous line searches we've tried. The
be more robust than previous line searches we have tried. The
backtracking method is described in Nocedal and Wright's Numerical
Optimization (Procedure 3.1 on p 41).