Changeset 8d56a6 for tests/Python/ForceAnnealing/post/two_carbon_test_no-bondgraph.data

Timestamp:

Jun 21, 2018, 8:31:25 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.6.1, ChemicalSpaceEvaluator

Children:

d83d64, f5ea10

Parents:

3e334e (diff), 4fc0ea (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'TremoloParser_IncreasedPrecision' into Candidate_v1.6.1

Conflicts:

tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data
tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data

File:

• tests/Python/ForceAnnealing/post/two_carbon_test_no-bondgraph.data (modified) (1 diff)

tests/Python/ForceAnnealing/post/two_carbon_test_no-bondgraph.data

@@ -1 +1 @@
 # ATOMDATA      type    Id      x=3     u=3     F=3     neighbors=4
 # Box   20      0       0       0       20      0       0       0       20
-C       1       7.6     10      10      0       0       0       -0.264589       0       0       2       0       0       0       
-C       2       8.7     10      10      0       0       0       0.264589        0       0       1       0       0       0       
+C       1       7.6     10      10      0       0       0       -0.2645886245   0       0       2       0       0       0       
+C       2       8.7     10      10      0       0       0       0.2645886245    0       0       1       0       0       0       
 # ATOMDATA      type    Id      x=3     u=3     F=3     neighbors=4
-C       1       7.57354 10      10      0       0       0       -0.236585       0       0       2       0       0       0       
-C       2       8.72646 10      10      0       0       0       0.236585        0       0       1       0       0       0       
+C       1       7.573541138     10      10      0       0       0       -0.2365845645   0       0       2       0       0       0       
+C       2       8.726458862     10      10      0       0       0       0.2365845645    0       0       1       0       0       0       
 # ATOMDATA      type    Id      x=3     u=3     F=3     neighbors=4
-C       1       7.35001 10      10      0       0       0       -1.05835e-05    0       0       2       0       0       0       
-C       2       8.94999 10      10      0       0       0       1.05835e-05     0       0       1       0       0       0       
+C       1       7.350010748     10      10      0       0       0       -1.058354498e-05        0       0       2       0       0       0       
+C       2       8.949989252     10      10      0       0       0       1.058354498e-05 0       0       1       0       0       0       
 # ATOMDATA      type    Id      x=3     u=3     F=3     neighbors=4
-C       1       7.35    10      10      0       0       0       0       0       0       2       0       0       0       
-C       2       8.95    10      10      0       0       0       0       0       0       1       0       0       0       
+C       1       7.350000748     10      10      0       0       0       0       0       0       2       0       0       0       
+C       2       8.949999252     10      10      0       0       0       0       0       0       1       0       0       0