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

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This commit is contained in:
Axel Kohlmeyer
2021-08-27 12:25:51 -04:00
parent cfaa3040ed
commit 4be33df8fb
47 changed files with 47 additions and 47 deletions
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2
unittest/force-styles/tests/atomic-pair-meam.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:03 2021 date_generated: Fri Feb 26 23:09:03 2021
epsilon: 5e-13 epsilon: 2.5e-12
prerequisites: ! | prerequisites: ! |
pair meam pair meam
pre_commands: ! | pre_commands: ! |

2
unittest/force-styles/tests/atomic-pair-meam_spline.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:03 2021 date_generated: Fri Feb 26 23:09:03 2021
epsilon: 1e-14 epsilon: 5e-14
prerequisites: ! | prerequisites: ! |
pair meam/spline pair meam/spline
pre_commands: ! | pre_commands: ! |

2
unittest/force-styles/tests/atomic-pair-polymorphic_eam.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:04 2021 date_generated: Fri Feb 26 23:09:04 2021
epsilon: 5e-14 epsilon: 7.5e-14
prerequisites: ! | prerequisites: ! |
pair polymorphic pair polymorphic
pre_commands: ! | pre_commands: ! |

2
unittest/force-styles/tests/bond-class2.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:21 2021 date_generated: Fri Feb 26 23:09:21 2021
epsilon: 1e-13 epsilon: 4e-13
prerequisites: ! | prerequisites: ! |
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bond class2 bond class2

2
unittest/force-styles/tests/dihedral-multi_harmonic.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:35 2021 date_generated: Fri Feb 26 23:09:35 2021
epsilon: 2.5e-13 epsilon: 5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
dihedral multi/harmonic dihedral multi/harmonic

2
unittest/force-styles/tests/dihedral-quadratic.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:35 2021 date_generated: Fri Feb 26 23:09:35 2021
epsilon: 2.5e-13 epsilon: 1e-12
prerequisites: ! | prerequisites: ! |
atom full atom full
dihedral quadratic dihedral quadratic

2
unittest/force-styles/tests/dihedral-spherical.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 30 Jul 2021 lammps_version: 30 Jul 2021
date_generated: Sun Aug 22 10:57:54 2021 date_generated: Sun Aug 22 10:57:54 2021
epsilon: 2.5e-14 epsilon: 5e-14
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full

2
unittest/force-styles/tests/dihedral-table_cut_linear.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Mar 2021 lammps_version: 10 Mar 2021
date_generated: Tue Mar 23 08:05:02 202 date_generated: Tue Mar 23 08:05:02 202
epsilon: 2e-14 epsilon: 5e-14
prerequisites: ! | prerequisites: ! |
atom full atom full
dihedral table/cut dihedral table/cut

2
unittest/force-styles/tests/dihedral-table_cut_spline.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Mar 2021 lammps_version: 10 Mar 2021
date_generated: Tue Mar 23 08:06:45 202 date_generated: Tue Mar 23 08:06:45 202
epsilon: 2e-14 epsilon: 2.5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
dihedral table/cut dihedral table/cut

2
unittest/force-styles/tests/dihedral-table_linear.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Mar 2021 lammps_version: 10 Mar 2021
date_generated: Mon Mar 22 21:19:05 202 date_generated: Mon Mar 22 21:19:05 202
epsilon: 1e-14 epsilon: 7.5e-14
prerequisites: ! | prerequisites: ! |
atom full atom full
dihedral table dihedral table

2
unittest/force-styles/tests/dihedral-table_spline.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Mar 2021 lammps_version: 10 Mar 2021
date_generated: Mon Mar 22 21:19:05 202 date_generated: Mon Mar 22 21:19:05 202
epsilon: 1e-14 epsilon: 1e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
dihedral table dihedral table

2
unittest/force-styles/tests/fix-timestep-addtorque_const.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 30 Jul 2021 lammps_version: 30 Jul 2021
date_generated: Sun Aug 22 14:22:56 2021 date_generated: Sun Aug 22 14:22:56 2021
epsilon: 1.5e-11 epsilon: 2.5e-11
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full

2
unittest/force-styles/tests/fix-timestep-momentum_chunk.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:54 2021 date_generated: Fri Feb 26 23:09:54 2021
epsilon: 2e-14 epsilon: 1e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
fix momentum/chunk fix momentum/chunk

2
unittest/force-styles/tests/fix-timestep-nph_sphere.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 30 Jul 2021 lammps_version: 30 Jul 2021
date_generated: Sun Aug 22 14:13:03 2021 date_generated: Sun Aug 22 14:13:03 2021
epsilon: 5e-14 epsilon: 2e-13
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full

2
unittest/force-styles/tests/fix-timestep-npt_sphere_aniso.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 30 Jul 2021 lammps_version: 30 Jul 2021
date_generated: Sun Aug 22 14:10:26 2021 date_generated: Sun Aug 22 14:10:26 2021
epsilon: 1e-13 epsilon: 4e-13
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full

2
unittest/force-styles/tests/fix-timestep-npt_sphere_iso.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 30 Jul 2021 lammps_version: 30 Jul 2021
date_generated: Sun Aug 22 14:07:35 2021 date_generated: Sun Aug 22 14:07:35 2021
epsilon: 5e-14 epsilon: 2e-13
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full

2
unittest/force-styles/tests/fix-timestep-npt_sphere_tri.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 30 Jul 2021 lammps_version: 30 Jul 2021
date_generated: Sun Aug 22 14:15:09 2021 date_generated: Sun Aug 22 14:15:09 2021
epsilon: 4e-13 epsilon: 5e-13
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full

2
unittest/force-styles/tests/fix-timestep-oneway.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:55 2021 date_generated: Fri Feb 26 23:09:55 2021
epsilon: 4e-14 epsilon: 7.5e-14
prerequisites: ! | prerequisites: ! |
atom full atom full
fix oneway fix oneway

2
unittest/force-styles/tests/fix-timestep-rattle_bond.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:55 2021 date_generated: Fri Feb 26 23:09:55 2021
epsilon: 1e-10 epsilon: 1.5e-10
prerequisites: ! | prerequisites: ! |
atom full atom full
fix rattle fix rattle

2
unittest/force-styles/tests/fix-timestep-shake_bond.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:58 2021 date_generated: Fri Feb 26 23:09:58 2021
epsilon: 3.5e-11 epsilon: 5e-11
prerequisites: ! | prerequisites: ! |
atom full atom full
fix shake fix shake

2
unittest/force-styles/tests/fix-timestep-wall_harmonic_const.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:59 2021 date_generated: Fri Feb 26 23:09:59 2021
epsilon: 3e-14 epsilon: 4e-14
prerequisites: ! | prerequisites: ! |
atom full atom full
fix wall/harmonic fix wall/harmonic

2
unittest/force-styles/tests/improper-harmonic.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Wed Feb 24 19:35:15 202 date_generated: Wed Feb 24 19:35:15 202
epsilon: 1e-11 epsilon: 2e-11
prerequisites: ! | prerequisites: ! |
atom full atom full
improper harmonic improper harmonic

2
unittest/force-styles/tests/kspace-pppm_tip4p_ad.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:34 2021 date_generated: Fri Feb 26 23:09:34 2021
epsilon: 3e-13 epsilon: 4e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair tip4p/long pair tip4p/long

2
unittest/force-styles/tests/manybody-pair-bop.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 8 Apr 2021 lammps_version: 8 Apr 2021
date_generated: Wed May 5 11:50:15 2021 date_generated: Wed May 5 11:50:15 2021
epsilon: 2e-13 epsilon: 5e-13
prerequisites: ! | prerequisites: ! |
pair bop pair bop
pre_commands: ! | pre_commands: ! |

2
unittest/force-styles/tests/manybody-pair-bop_save.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 8 Apr 2021 lammps_version: 8 Apr 2021
date_generated: Wed May 5 11:50:24 2021 date_generated: Wed May 5 11:50:24 2021
epsilon: 2e-14 epsilon: 9e-13
prerequisites: ! | prerequisites: ! |
pair bop pair bop
pre_commands: ! | pre_commands: ! |

2
unittest/force-styles/tests/manybody-pair-edip_multi.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:15 2021 date_generated: Fri Feb 26 23:09:15 2021
epsilon: 7.5e-14 epsilon: 1.5e-13
prerequisites: ! | prerequisites: ! |
pair edip/multi pair edip/multi
pre_commands: ! | pre_commands: ! |

2
unittest/force-styles/tests/manybody-pair-mliap_so3.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 27 May 2021 lammps_version: 27 May 2021
date_generated: Sun Jun 13 17:44:07 2021 date_generated: Sun Jun 13 17:44:07 2021
epsilon: 5e-13 epsilon: 2.5e-11
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
pair mliap pair mliap

2
unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:17 2021 date_generated: Fri Feb 26 23:09:17 2021
epsilon: 1e-14 epsilon: 1.5e-13
prerequisites: ! | prerequisites: ! |
pair polymorphic pair polymorphic
pre_commands: ! | pre_commands: ! |

2
unittest/force-styles/tests/manybody-pair-polymorphic_tersoff.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:17 2021 date_generated: Fri Feb 26 23:09:17 2021
epsilon: 1e-14 epsilon: 1e-13
prerequisites: ! | prerequisites: ! |
pair polymorphic pair polymorphic
pre_commands: ! | pre_commands: ! |

2
unittest/force-styles/tests/mol-pair-buck_coul_long_cs.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:40 2021 date_generated: Fri Feb 26 23:08:40 2021
epsilon: 5e-14 epsilon: 5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair buck/coul/long/cs pair buck/coul/long/cs

2
unittest/force-styles/tests/mol-pair-buck_coul_table_cs.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:41 2021 date_generated: Fri Feb 26 23:08:41 2021
epsilon: 5e-14 epsilon: 5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair buck/coul/long/cs pair buck/coul/long/cs

2
unittest/force-styles/tests/mol-pair-buck_mdf.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:41 2021 date_generated: Fri Feb 26 23:08:41 2021
epsilon: 5e-14 epsilon: 1e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair buck/mdf pair buck/mdf

2
unittest/force-styles/tests/mol-pair-cosine_squared.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:42 2021 date_generated: Fri Feb 26 23:08:42 2021
epsilon: 5e-14 epsilon: 7.5e-14
prerequisites: ! | prerequisites: ! |
atom full atom full
pair cosine/squared pair cosine/squared

2
unittest/force-styles/tests/mol-pair-coul_cut_soft.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:42 2021 date_generated: Fri Feb 26 23:08:42 2021
epsilon: 5e-14 epsilon: 5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair hybrid/overlay pair hybrid/overlay

2
unittest/force-styles/tests/mol-pair-coul_diel.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:42 2021 date_generated: Fri Feb 26 23:08:42 2021
epsilon: 1e-13 epsilon: 2e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair coul/diel pair coul/diel

2
unittest/force-styles/tests/mol-pair-coul_shield.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:43 2021 date_generated: Fri Feb 26 23:08:43 2021
epsilon: 2.5e-13 epsilon: 2.5e-12
prerequisites: ! | prerequisites: ! |
atom full atom full
pair coul/shield pair coul/shield

2
unittest/force-styles/tests/mol-pair-coul_slater_cut.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:43 2021 date_generated: Fri Feb 26 23:08:43 2021
epsilon: 1e-13 epsilon: 2e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair coul/slater/cut pair coul/slater/cut

2
unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 8 Apr 2021 lammps_version: 8 Apr 2021
date_generated: Mon Apr 19 08:49:07 2021 date_generated: Mon Apr 19 08:49:07 2021
epsilon: 1.5e-13 epsilon: 5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/cut pair lj/cut

2
unittest/force-styles/tests/mol-pair-lj_charmm_coul_charmm_implicit.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:45 2021 date_generated: Fri Feb 26 23:08:45 2021
epsilon: 2.5e-13 epsilon: 5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/charmm/coul/charmm/implicit pair lj/charmm/coul/charmm/implicit

2
unittest/force-styles/tests/mol-pair-lj_charmm_coul_long_soft.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:45 2021 date_generated: Fri Feb 26 23:08:45 2021
epsilon: 5e-13 epsilon: 2.5e-12
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/charmm/coul/long/soft pair lj/charmm/coul/long/soft

2
unittest/force-styles/tests/mol-pair-lj_class2_soft.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:47 2021 date_generated: Fri Feb 26 23:08:47 2021
epsilon: 5e-14 epsilon: 7.5e-14
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/class2/soft pair lj/class2/soft

2
unittest/force-styles/tests/mol-pair-lj_cut_coul_long_cs.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:48 2021 date_generated: Fri Feb 26 23:08:48 2021
epsilon: 1e-13 epsilon: 2e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/cut/coul/long/cs pair lj/cut/coul/long/cs

2
unittest/force-styles/tests/mol-pair-lj_cut_coul_long_soft.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:48 2021 date_generated: Fri Feb 26 23:08:48 2021
epsilon: 5e-13 epsilon: 2.5e-12
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/cut/coul/long/soft pair lj/cut/coul/long/soft

2
unittest/force-styles/tests/mol-pair-lj_cut_coul_msm.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:48 2021 date_generated: Fri Feb 26 23:08:48 2021
epsilon: 7e-14 epsilon: 7.5e-14
skip_tests: gpu skip_tests: gpu
prerequisites: ! | prerequisites: ! |
atom full atom full

2
unittest/force-styles/tests/mol-pair-lj_cut_soft.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:49 2021 date_generated: Fri Feb 26 23:08:49 2021
epsilon: 5e-14 epsilon: 7.5e-14
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/cut/soft pair lj/cut/soft

2
unittest/force-styles/tests/mol-pair-lj_cut_tip4p_long_soft.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:50 2021 date_generated: Fri Feb 26 23:08:50 2021
epsilon: 1e-13 epsilon: 2.5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair lj/cut/tip4p/long/soft pair lj/cut/tip4p/long/soft

2
unittest/force-styles/tests/mol-pair-tip4p_long.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:08:57 2021 date_generated: Fri Feb 26 23:08:57 2021
epsilon: 2.5e-13 epsilon: 5e-13
prerequisites: ! | prerequisites: ! |
atom full atom full
pair tip4p/long pair tip4p/long