Changeset 82e5fb for src/Actions/PotentialAction/FitPotentialAction.cpp

Timestamp:

May 25, 2021, 11:04:50 PM (4 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

91793c

Parents:

889067e

git-author:

Frederik Heber <frederik.heber@…> (05/25/21 21:55:59)

git-committer:

Frederik Heber <frederik.heber@…> (05/25/21 23:04:50)

Message:

Added option error-file to fit potential actions.

• DOCU: Added option to userguide.
• TESTS: Added option to FitCompoundPotential regression test.

File:

• src/Actions/PotentialAction/FitPotentialAction.cpp (modified) (1 diff)

src/Actions/PotentialAction/FitPotentialAction.cpp

@@ -141 +141 @@
       graph,
       params.training_file.get(),
+      params.error_file.get(),
       params.max_iterations.get(),
       params.threshold.get(),