From fbf1451a2f0115fb759185b03323c110b9f3279a Mon Sep 17 00:00:00 2001 From: alphataubio Date: Thu, 1 Aug 2024 01:28:57 -0400 Subject: [PATCH] add more crossterms to cmap unit test --- unittest/force-styles/tests/data.cmap | 7 +- .../force-styles/tests/fix-timestep-cmap.yaml | 118 +++++++++--------- 2 files changed, 64 insertions(+), 61 deletions(-) diff --git a/unittest/force-styles/tests/data.cmap b/unittest/force-styles/tests/data.cmap index c147dc8d3e..ad86b1c3ed 100644 --- a/unittest/force-styles/tests/data.cmap +++ b/unittest/force-styles/tests/data.cmap @@ -10,7 +10,7 @@ LAMMPS data file via write_data, version 5 May 2020, timestep = 0 5 dihedral types 2 impropers 2 improper types -2 crossterms +5 crossterms -6.024572 8.975428 xlo xhi -7.692866 7.307134 ylo yhi @@ -226,4 +226,7 @@ Impropers CMAP 1 1 8 10 12 18 20 -2 5 18 20 22 25 27 +2 2 18 20 22 25 27 +3 3 2 4 5 6 7 +4 4 10 11 12 13 14 +5 5 5 10 15 20 25 diff --git a/unittest/force-styles/tests/fix-timestep-cmap.yaml b/unittest/force-styles/tests/fix-timestep-cmap.yaml index 148ac7766c..86e21a891d 100644 --- a/unittest/force-styles/tests/fix-timestep-cmap.yaml +++ b/unittest/force-styles/tests/fix-timestep-cmap.yaml @@ -1,7 +1,7 @@ --- lammps_version: 27 Jun 2024 tags: generated -date_generated: Wed Jul 31 05:33:32 2024 +date_generated: Thu Aug 1 00:19:04 2024 epsilon: 2e-14 skip_tests: prerequisites: ! 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