relax force test epsilon values a little for cross-platform tests

2021-08-27 12:25:51 -04:00
parent cfaa3040ed
commit 4be33df8fb
47 changed files with 47 additions and 47 deletions
--- a/unittest/force-styles/tests/atomic-pair-meam.yaml
+++ b/unittest/force-styles/tests/atomic-pair-meam.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:03 2021
-epsilon: 5e-13
+epsilon: 2.5e-12
 prerequisites: ! |
  pair meam
 pre_commands: ! |
--- a/unittest/force-styles/tests/atomic-pair-meam_spline.yaml
+++ b/unittest/force-styles/tests/atomic-pair-meam_spline.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:03 2021
-epsilon: 1e-14
+epsilon: 5e-14
 prerequisites: ! |
  pair meam/spline
 pre_commands: ! |
--- a/unittest/force-styles/tests/atomic-pair-polymorphic_eam.yaml
+++ b/unittest/force-styles/tests/atomic-pair-polymorphic_eam.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:04 2021
-epsilon: 5e-14
+epsilon: 7.5e-14
 prerequisites: ! |
  pair polymorphic
 pre_commands: ! |
--- a/unittest/force-styles/tests/bond-class2.yaml
+++ b/unittest/force-styles/tests/bond-class2.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:21 2021
-epsilon: 1e-13
+epsilon: 4e-13
 prerequisites: ! |
  atom full
  bond class2
--- a/unittest/force-styles/tests/dihedral-multi_harmonic.yaml
+++ b/unittest/force-styles/tests/dihedral-multi_harmonic.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:35 2021
-epsilon: 2.5e-13
+epsilon: 5e-13
 prerequisites: ! |
  atom full
  dihedral multi/harmonic
--- a/unittest/force-styles/tests/dihedral-quadratic.yaml
+++ b/unittest/force-styles/tests/dihedral-quadratic.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:35 2021
-epsilon: 2.5e-13
+epsilon: 1e-12
 prerequisites: ! |
  atom full
  dihedral quadratic
--- a/unittest/force-styles/tests/dihedral-spherical.yaml
+++ b/unittest/force-styles/tests/dihedral-spherical.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 30 Jul 2021
 date_generated: Sun Aug 22 10:57:54 2021
-epsilon: 2.5e-14
+epsilon: 5e-14
 skip_tests:
 prerequisites: ! |
  atom full
--- a/unittest/force-styles/tests/dihedral-table_cut_linear.yaml
+++ b/unittest/force-styles/tests/dihedral-table_cut_linear.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Mar 2021
 date_generated: Tue Mar 23 08:05:02 202
-epsilon: 2e-14
+epsilon: 5e-14
 prerequisites: ! |
  atom full
  dihedral table/cut
--- a/unittest/force-styles/tests/dihedral-table_cut_spline.yaml
+++ b/unittest/force-styles/tests/dihedral-table_cut_spline.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Mar 2021
 date_generated: Tue Mar 23 08:06:45 202
-epsilon: 2e-14
+epsilon: 2.5e-13
 prerequisites: ! |
  atom full
  dihedral table/cut
--- a/unittest/force-styles/tests/dihedral-table_linear.yaml
+++ b/unittest/force-styles/tests/dihedral-table_linear.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Mar 2021
 date_generated: Mon Mar 22 21:19:05 202
-epsilon: 1e-14
+epsilon: 7.5e-14
 prerequisites: ! |
  atom full
  dihedral table
--- a/unittest/force-styles/tests/dihedral-table_spline.yaml
+++ b/unittest/force-styles/tests/dihedral-table_spline.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Mar 2021
 date_generated: Mon Mar 22 21:19:05 202
-epsilon: 1e-14
+epsilon: 1e-13
 prerequisites: ! |
  atom full
  dihedral table
--- a/unittest/force-styles/tests/fix-timestep-addtorque_const.yaml
+++ b/unittest/force-styles/tests/fix-timestep-addtorque_const.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 30 Jul 2021
 date_generated: Sun Aug 22 14:22:56 2021
-epsilon: 1.5e-11
+epsilon: 2.5e-11
 skip_tests:
 prerequisites: ! |
  atom full
--- a/unittest/force-styles/tests/fix-timestep-momentum_chunk.yaml
+++ b/unittest/force-styles/tests/fix-timestep-momentum_chunk.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:54 2021
-epsilon: 2e-14
+epsilon: 1e-13
 prerequisites: ! |
  atom full
  fix momentum/chunk
--- a/unittest/force-styles/tests/fix-timestep-nph_sphere.yaml
+++ b/unittest/force-styles/tests/fix-timestep-nph_sphere.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 30 Jul 2021
 date_generated: Sun Aug 22 14:13:03 2021
-epsilon: 5e-14
+epsilon: 2e-13
 skip_tests:
 prerequisites: ! |
  atom full
--- a/unittest/force-styles/tests/fix-timestep-npt_sphere_aniso.yaml
+++ b/unittest/force-styles/tests/fix-timestep-npt_sphere_aniso.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 30 Jul 2021
 date_generated: Sun Aug 22 14:10:26 2021
-epsilon: 1e-13
+epsilon: 4e-13
 skip_tests:
 prerequisites: ! |
  atom full
--- a/unittest/force-styles/tests/fix-timestep-npt_sphere_iso.yaml
+++ b/unittest/force-styles/tests/fix-timestep-npt_sphere_iso.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 30 Jul 2021
 date_generated: Sun Aug 22 14:07:35 2021
-epsilon: 5e-14
+epsilon: 2e-13
 skip_tests:
 prerequisites: ! |
  atom full
--- a/unittest/force-styles/tests/fix-timestep-npt_sphere_tri.yaml
+++ b/unittest/force-styles/tests/fix-timestep-npt_sphere_tri.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 30 Jul 2021
 date_generated: Sun Aug 22 14:15:09 2021
-epsilon: 4e-13
+epsilon: 5e-13
 skip_tests:
 prerequisites: ! |
  atom full
--- a/unittest/force-styles/tests/fix-timestep-oneway.yaml
+++ b/unittest/force-styles/tests/fix-timestep-oneway.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:55 2021
-epsilon: 4e-14
+epsilon: 7.5e-14
 prerequisites: ! |
  atom full
  fix oneway
--- a/unittest/force-styles/tests/fix-timestep-rattle_bond.yaml
+++ b/unittest/force-styles/tests/fix-timestep-rattle_bond.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:55 2021
-epsilon: 1e-10
+epsilon: 1.5e-10
 prerequisites: ! |
  atom full
  fix rattle
--- a/unittest/force-styles/tests/fix-timestep-shake_bond.yaml
+++ b/unittest/force-styles/tests/fix-timestep-shake_bond.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:58 2021
-epsilon: 3.5e-11
+epsilon: 5e-11
 prerequisites: ! |
  atom full
  fix shake
--- a/unittest/force-styles/tests/fix-timestep-wall_harmonic_const.yaml
+++ b/unittest/force-styles/tests/fix-timestep-wall_harmonic_const.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:59 2021
-epsilon: 3e-14
+epsilon: 4e-14
 prerequisites: ! |
  atom full
  fix wall/harmonic
--- a/unittest/force-styles/tests/improper-harmonic.yaml
+++ b/unittest/force-styles/tests/improper-harmonic.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Wed Feb 24 19:35:15 202
-epsilon: 1e-11
+epsilon: 2e-11
 prerequisites: ! |
  atom full
  improper harmonic
--- a/unittest/force-styles/tests/kspace-pppm_tip4p_ad.yaml
+++ b/unittest/force-styles/tests/kspace-pppm_tip4p_ad.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:34 2021
-epsilon: 3e-13
+epsilon: 4e-13
 prerequisites: ! |
  atom full
  pair tip4p/long
--- a/unittest/force-styles/tests/manybody-pair-bop.yaml
+++ b/unittest/force-styles/tests/manybody-pair-bop.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 8 Apr 2021
 date_generated: Wed May  5 11:50:15 2021
-epsilon: 2e-13
+epsilon: 5e-13
 prerequisites: ! |
  pair bop
 pre_commands: ! |
--- a/unittest/force-styles/tests/manybody-pair-bop_save.yaml
+++ b/unittest/force-styles/tests/manybody-pair-bop_save.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 8 Apr 2021
 date_generated: Wed May  5 11:50:24 2021
-epsilon: 2e-14
+epsilon: 9e-13
 prerequisites: ! |
  pair bop
 pre_commands: ! |
--- 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: 7.5e-14
+epsilon: 1.5e-13
 prerequisites: ! |
  pair edip/multi
 pre_commands: ! |
--- a/unittest/force-styles/tests/manybody-pair-mliap_so3.yaml
+++ b/unittest/force-styles/tests/manybody-pair-mliap_so3.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 27 May 2021
 date_generated: Sun Jun 13 17:44:07 2021
-epsilon: 5e-13
+epsilon: 2.5e-11
 skip_tests:
 prerequisites: ! |
  pair mliap
--- a/unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml
+++ b/unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:17 2021
-epsilon: 1e-14
+epsilon: 1.5e-13
 prerequisites: ! |
  pair polymorphic
 pre_commands: ! |
--- a/unittest/force-styles/tests/manybody-pair-polymorphic_tersoff.yaml
+++ b/unittest/force-styles/tests/manybody-pair-polymorphic_tersoff.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:17 2021
-epsilon: 1e-14
+epsilon: 1e-13
 prerequisites: ! |
  pair polymorphic
 pre_commands: ! |
--- a/unittest/force-styles/tests/mol-pair-buck_coul_long_cs.yaml
+++ b/unittest/force-styles/tests/mol-pair-buck_coul_long_cs.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:40 2021
-epsilon: 5e-14
+epsilon: 5e-13
 prerequisites: ! |
  atom full
  pair buck/coul/long/cs
--- a/unittest/force-styles/tests/mol-pair-buck_coul_table_cs.yaml
+++ b/unittest/force-styles/tests/mol-pair-buck_coul_table_cs.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:41 2021
-epsilon: 5e-14
+epsilon: 5e-13
 prerequisites: ! |
  atom full
  pair buck/coul/long/cs
--- a/unittest/force-styles/tests/mol-pair-buck_mdf.yaml
+++ b/unittest/force-styles/tests/mol-pair-buck_mdf.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:41 2021
-epsilon: 5e-14
+epsilon: 1e-13
 prerequisites: ! |
  atom full
  pair buck/mdf
--- a/unittest/force-styles/tests/mol-pair-cosine_squared.yaml
+++ b/unittest/force-styles/tests/mol-pair-cosine_squared.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:42 2021
-epsilon: 5e-14
+epsilon: 7.5e-14
 prerequisites: ! |
  atom full
  pair cosine/squared
--- a/unittest/force-styles/tests/mol-pair-coul_cut_soft.yaml
+++ b/unittest/force-styles/tests/mol-pair-coul_cut_soft.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:42 2021
-epsilon: 5e-14
+epsilon: 5e-13
 prerequisites: ! |
  atom full
  pair hybrid/overlay
--- a/unittest/force-styles/tests/mol-pair-coul_diel.yaml
+++ b/unittest/force-styles/tests/mol-pair-coul_diel.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:42 2021
-epsilon: 1e-13
+epsilon: 2e-13
 prerequisites: ! |
  atom full
  pair coul/diel
--- a/unittest/force-styles/tests/mol-pair-coul_shield.yaml
+++ b/unittest/force-styles/tests/mol-pair-coul_shield.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:43 2021
-epsilon: 2.5e-13
+epsilon: 2.5e-12
 prerequisites: ! |
  atom full
  pair coul/shield
--- a/unittest/force-styles/tests/mol-pair-coul_slater_cut.yaml
+++ b/unittest/force-styles/tests/mol-pair-coul_slater_cut.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:43 2021
-epsilon: 1e-13
+epsilon: 2e-13
 prerequisites: ! |
  atom full
  pair coul/slater/cut
--- a/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml
+++ b/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 8 Apr 2021
 date_generated: Mon Apr 19 08:49:07 2021
-epsilon: 1.5e-13
+epsilon: 5e-13
 prerequisites: ! |
  atom full
  pair lj/cut
--- 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: 2.5e-13
+epsilon: 5e-13
 prerequisites: ! |
  atom full
  pair lj/charmm/coul/charmm/implicit
--- a/unittest/force-styles/tests/mol-pair-lj_charmm_coul_long_soft.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_charmm_coul_long_soft.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:45 2021
-epsilon: 5e-13
+epsilon: 2.5e-12
 prerequisites: ! |
  atom full
  pair lj/charmm/coul/long/soft
--- a/unittest/force-styles/tests/mol-pair-lj_class2_soft.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_class2_soft.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:47 2021
-epsilon: 5e-14
+epsilon: 7.5e-14
 prerequisites: ! |
  atom full
  pair lj/class2/soft
--- 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: 1e-13
+epsilon: 2e-13
 prerequisites: ! |
  atom full
  pair lj/cut/coul/long/cs
--- a/unittest/force-styles/tests/mol-pair-lj_cut_coul_long_soft.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_cut_coul_long_soft.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:48 2021
-epsilon: 5e-13
+epsilon: 2.5e-12
 prerequisites: ! |
  atom full
  pair lj/cut/coul/long/soft
--- a/unittest/force-styles/tests/mol-pair-lj_cut_coul_msm.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_cut_coul_msm.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:48 2021
-epsilon: 7e-14
+epsilon: 7.5e-14
 skip_tests: gpu
 prerequisites: ! |
  atom full
--- a/unittest/force-styles/tests/mol-pair-lj_cut_soft.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_cut_soft.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:49 2021
-epsilon: 5e-14
+epsilon: 7.5e-14
 prerequisites: ! |
  atom full
  pair lj/cut/soft
--- a/unittest/force-styles/tests/mol-pair-lj_cut_tip4p_long_soft.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_cut_tip4p_long_soft.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:50 2021
-epsilon: 1e-13
+epsilon: 2.5e-13
 prerequisites: ! |
  atom full
  pair lj/cut/tip4p/long/soft
--- a/unittest/force-styles/tests/mol-pair-tip4p_long.yaml
+++ b/unittest/force-styles/tests/mol-pair-tip4p_long.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:57 2021
-epsilon: 2.5e-13
+epsilon: 5e-13
 prerequisites: ! |
  atom full
  pair tip4p/long