tweak epsilon to adjust for numeric noise when using pair_modify nofdotr

2021-04-27 08:29:21 -04:00
parent 7d6f7a0984
commit 7ec8d025c8
4 changed files with 4 additions and 4 deletions
--- a/unittest/force-styles/tests/manybody-pair-edip_multi.yaml
+++ b/unittest/force-styles/tests/manybody-pair-edip_multi.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:15 2021
-epsilon: 5e-14
+epsilon: 7.5e-14
 prerequisites: ! |
  pair edip/multi
 pre_commands: ! |
--- a/unittest/force-styles/tests/mol-pair-lj_charmm_coul_charmm_implicit.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_charmm_coul_charmm_implicit.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:45 2021
-epsilon: 2e-13
+epsilon: 2.5e-13
 prerequisites: ! |
  atom full
  pair lj/charmm/coul/charmm/implicit
--- a/unittest/force-styles/tests/mol-pair-lj_charmm_coul_long.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_charmm_coul_long.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:45 2021
-epsilon: 7.5e-14
+epsilon: 1e-13
 prerequisites: ! |
  atom full
  pair lj/charmm/coul/long
--- a/unittest/force-styles/tests/mol-pair-lj_cut_coul_long_cs.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_cut_coul_long_cs.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:48 2021
-epsilon: 7.5e-14
+epsilon: 1e-13
 prerequisites: ! |
  atom full
  pair lj/cut/coul/long/cs