adjust epsilon for -std=c++14 and add more unstable tags

2021-12-07 17:11:29 -05:00
parent a323b00fef
commit 021f6832d5
31 changed files with 48 additions and 41 deletions
--- a/unittest/force-styles/tests/atomic-pair-buck_coul_cut_qeq_point.yaml
+++ b/unittest/force-styles/tests/atomic-pair-buck_coul_cut_qeq_point.yaml
@ -2,6 +2,7 @@
 lammps_version: 8 Apr 2021
 date_generated: Tue Apr 20 14:47:51 2021
 epsilon: 7.5e-13
+tags: unstable
 skip_tests: intel single gpu
 prerequisites: ! |
  pair buck/coul/cut
--- a/unittest/force-styles/tests/atomic-pair-buck_coul_cut_qeq_shielded.yaml
+++ b/unittest/force-styles/tests/atomic-pair-buck_coul_cut_qeq_shielded.yaml
@ -2,6 +2,7 @@
 lammps_version: 8 Apr 2021
 date_generated: Tue Apr 20 14:48:00 2021
 epsilon: 7.5e-13
+tags: unstable
 skip_tests: intel single gpu
 prerequisites: ! |
  pair buck/coul/cut
--- a/unittest/force-styles/tests/atomic-pair-edip.yaml
+++ b/unittest/force-styles/tests/atomic-pair-edip.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 10 Feb 2021
-tags: slow
+tags: slow unstable
 date_generated: Fri Feb 26 23:09:02 2021
-epsilon: 7.5e-13
+epsilon: 7e-9
 prerequisites: ! |
  pair edip
 pre_commands: ! |
--- a/unittest/force-styles/tests/atomic-pair-hybrid-eam.yaml
+++ b/unittest/force-styles/tests/atomic-pair-hybrid-eam.yaml
@ -1,7 +1,8 @@
 ---
 lammps_version: 8 Apr 2021
 date_generated: Mon Apr 19 08:49:08 2021
-epsilon: 1e-11
+epsilon: 2e-10
+tags: unstable
 skip_tests: single
 prerequisites: ! |
  pair eam/fs
--- a/unittest/force-styles/tests/atomic-pair-meam_sw_spline.yaml
+++ b/unittest/force-styles/tests/atomic-pair-meam_sw_spline.yaml
@ -2,7 +2,7 @@
 lammps_version: 10 Feb 2021
 tags: slow, unstable
 date_generated: Fri Feb 26 23:09:03 2021
-epsilon: 1e-14
+epsilon: 5e-13
 prerequisites: ! |
  pair meam/sw/spline
 pre_commands: ! |
--- a/unittest/force-styles/tests/atomic-pair-reaxff-acks2.yaml
+++ b/unittest/force-styles/tests/atomic-pair-reaxff-acks2.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 31 Aug 2021
-tags: slow
+tags: slow unstable
 date_generated: Tue Sep 21 15:02:20 2021
-epsilon: 5e-9
+epsilon: 7.5e-9
 skip_tests: omp
 prerequisites: ! |
  pair reaxff
--- a/unittest/force-styles/tests/atomic-pair-reaxff-acks2_efield.yaml
+++ b/unittest/force-styles/tests/atomic-pair-reaxff-acks2_efield.yaml
@ -1,6 +1,6 @@
 ---
 lammps_version: 29 Sep 2021
-tags: slow
+tags: slow unstable
 date_generated: Wed Oct 13 18:05:37 2021
 epsilon: 5e-09
 skip_tests: omp
--- a/unittest/force-styles/tests/atomic-pair-reaxff.yaml
+++ b/unittest/force-styles/tests/atomic-pair-reaxff.yaml
@ -1,6 +1,6 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow, unstable
+tags: slow unstable
 date_generated: Mon Aug 23 20:32:03 2021
 epsilon: 2e-10
 skip_tests:
--- a/unittest/force-styles/tests/atomic-pair-reaxff_lgvdw.yaml
+++ b/unittest/force-styles/tests/atomic-pair-reaxff_lgvdw.yaml
@ -1,6 +1,6 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow, unstable
+tags: slow unstable
 date_generated: Mon Aug 23 20:32:03 2021
 epsilon: 4e-12
 skip_tests:
--- a/unittest/force-styles/tests/atomic-pair-reaxff_noqeq.yaml
+++ b/unittest/force-styles/tests/atomic-pair-reaxff_noqeq.yaml
@ -1,8 +1,9 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow, unstable
+tags: slow unstable
 date_generated: Mon Aug 23 20:32:04 2021
-epsilon: 5e-13
+epsilon: 2e-11
+tags: unstable
 skip_tests:
 prerequisites: ! |
  pair reaxff
--- a/unittest/force-styles/tests/atomic-pair-reaxff_tabulate.yaml
+++ b/unittest/force-styles/tests/atomic-pair-reaxff_tabulate.yaml
@ -1,6 +1,6 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow, unstable
+tags: slow unstable
 date_generated: Mon Aug 23 20:32:05 2021
 epsilon: 1e-12
 skip_tests:
--- a/unittest/force-styles/tests/manybody-pair-bop.yaml
+++ b/unittest/force-styles/tests/manybody-pair-bop.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 8 Apr 2021
-tags: slow
+tags: slow unstable
 date_generated: Wed May  5 11:50:15 2021
-epsilon: 5e-13
+epsilon: 5e-12
 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
@ -1,8 +1,8 @@
 ---
 lammps_version: 8 Apr 2021
-tags: slow
+tags: slow unstable
 date_generated: Wed May  5 11:50:24 2021
-epsilon: 9e-13
+epsilon: 2e-11
 prerequisites: ! |
  pair bop
 pre_commands: ! |
--- a/unittest/force-styles/tests/manybody-pair-comb.yaml
+++ b/unittest/force-styles/tests/manybody-pair-comb.yaml
@ -1,6 +1,6 @@
 ---
 lammps_version: 10 Feb 2021
-tags: slow
+tags: slow unstable
 date_generated: Fri Feb 26 23:09:14 2021
 epsilon: 1e-12
 prerequisites: ! |
--- a/unittest/force-styles/tests/manybody-pair-comb3.yaml
+++ b/unittest/force-styles/tests/manybody-pair-comb3.yaml
@ -1,6 +1,6 @@
 ---
 lammps_version: 10 Feb 2021
-tags: slow
+tags: slow unstable
 date_generated: Fri Feb 26 23:09:14 2021
 epsilon: 1e-13
 prerequisites: ! |
--- a/unittest/force-styles/tests/manybody-pair-drip.yaml
+++ b/unittest/force-styles/tests/manybody-pair-drip.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow
+tags: slow unstable
 date_generated: Tue Aug 24 15:36:39 2021
-epsilon: 7.5e-11
+epsilon: 7.5e-09
 skip_tests: single
 prerequisites: ! |
  pair drip
--- a/unittest/force-styles/tests/manybody-pair-drip_real.yaml
+++ b/unittest/force-styles/tests/manybody-pair-drip_real.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow
+tags: slow unstable
 date_generated: Tue Aug 24 15:36:41 2021
-epsilon: 2e-10
+epsilon: 8e-9
 skip_tests: single
 prerequisites: ! |
  pair drip
--- a/unittest/force-styles/tests/manybody-pair-ilp-graphene-hbn.yaml
+++ b/unittest/force-styles/tests/manybody-pair-ilp-graphene-hbn.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow
+tags: slow unstable
 date_generated: Tue Aug 24 15:36:42 2021
-epsilon: 5e-13
+epsilon: 5e-12
 skip_tests: single
 prerequisites: ! |
  pair ilp/graphene/hbn
--- a/unittest/force-styles/tests/manybody-pair-ilp-graphene-hbn_notaper.yaml
+++ b/unittest/force-styles/tests/manybody-pair-ilp-graphene-hbn_notaper.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow
+tags: slow unstable
 date_generated: Tue Aug 24 15:36:45 2021
-epsilon: 9e-13
+epsilon: 1e-11
 skip_tests: single
 prerequisites: ! |
  pair ilp/graphene/hbn
--- a/unittest/force-styles/tests/manybody-pair-kolmogorov_crespi_full.yaml
+++ b/unittest/force-styles/tests/manybody-pair-kolmogorov_crespi_full.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow
+tags: slow unstable
 date_generated: Tue Aug 24 15:36:47 2021
-epsilon: 5e-12
+epsilon: 5e-11
 skip_tests: single
 prerequisites: ! |
  pair kolmogorov/crespi/full
--- a/unittest/force-styles/tests/manybody-pair-kolmogorov_crespi_full_notaper.yaml
+++ b/unittest/force-styles/tests/manybody-pair-kolmogorov_crespi_full_notaper.yaml
@ -1,6 +1,6 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow
+tags: slow unstable
 date_generated: Tue Aug 24 15:36:49 2021
 epsilon: 5e-12
 skip_tests: single
--- a/unittest/force-styles/tests/manybody-pair-kolmogorov_crespi_z.yaml
+++ b/unittest/force-styles/tests/manybody-pair-kolmogorov_crespi_z.yaml
@ -1,6 +1,6 @@
 ---
 lammps_version: 30 Jul 2021
-tags: slow
+tags: slow unstable
 date_generated: Wed Aug 25 07:14:32 2021
 epsilon: 5e-13
 skip_tests: single
--- a/unittest/force-styles/tests/manybody-pair-mliap_so3.yaml
+++ b/unittest/force-styles/tests/manybody-pair-mliap_so3.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 27 May 2021
-tags: slow
+tags: slow unstable
 date_generated: Sun Jun 13 17:44:07 2021
-epsilon: 2.5e-11
+epsilon: 5e-11
 skip_tests:
 prerequisites: ! |
  pair mliap
--- a/unittest/force-styles/tests/manybody-pair-nb3b_harmonic.yaml
+++ b/unittest/force-styles/tests/manybody-pair-nb3b_harmonic.yaml
@ -1,7 +1,8 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:17 2021
-epsilon: 1e-12
+tags: unstable
+epsilon: 2e-12
 prerequisites: ! |
  pair nb3b/harmonic
 pre_commands: ! |
--- a/unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml
+++ b/unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml
@ -1,7 +1,8 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:17 2021
-epsilon: 1.5e-13
+tags: unstable
+epsilon: 2.5e-12
 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 +1,8 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:09:17 2021
-epsilon: 1e-13
+tags: unstable
+epsilon: 5e-13
 prerequisites: ! |
  pair polymorphic
 pre_commands: ! |
--- a/unittest/force-styles/tests/manybody-pair-rann.yaml
+++ b/unittest/force-styles/tests/manybody-pair-rann.yaml
@ -2,7 +2,7 @@
 lammps_version: 27 May 2021
 tags: slow
 date_generated: Sun Jun 20 22:01:27 2021
-epsilon: 1e-13
+epsilon: 2e-13
 prerequisites: ! |
  pair rann
 pre_commands: ! |
--- a/unittest/force-styles/tests/manybody-pair-tersoff_table.yaml
+++ b/unittest/force-styles/tests/manybody-pair-tersoff_table.yaml
@ -1,8 +1,8 @@
 ---
 lammps_version: 10 Feb 2021
-tags: slow
+tags: slow unstable
 date_generated: Fri Feb 26 23:09:20 2021
-epsilon: 5e-11
+epsilon: 9e-10
 prerequisites: ! |
  pair tersoff/table
 pre_commands: ! |
--- 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: 2.5e-12
+epsilon: 5e-12
 prerequisites: ! |
  atom full
  pair lj/charmm/coul/long/soft
--- a/unittest/force-styles/tests/mol-pair-lj_charmm_coul_msm.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_charmm_coul_msm.yaml
@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Feb 2021
 date_generated: Fri Feb 26 23:08:46 2021
-epsilon: 5e-14
+epsilon: 6e-14
 prerequisites: ! |
  atom full
  pair lj/charmm/coul/msm
--- 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: 2.5e-12
+epsilon: 5e-12
 prerequisites: ! |
  atom full
  pair lj/cut/coul/long/soft