reset force test references for Class2 angle styles

This commit is contained in:
Axel Kohlmeyer
2021-12-21 11:28:26 -05:00
parent 6187431399
commit ecc0205436
2 changed files with 131 additions and 129 deletions

View File

@ -1,7 +1,8 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 14 Dec 2021
date_generated: Fri Feb 26 23:09:23 2021 date_generated: Tue Dec 21 11:26:44 2021
epsilon: 1e-12 epsilon: 1e-12
skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full
angle class2 angle class2
@ -21,73 +22,73 @@ angle_coeff: ! |
1 ba 20.0 0.0 1.5 1.5 1 ba 20.0 0.0 1.5 1.5
3 ba 10.0 10.0 1.5 1.5 3 ba 10.0 10.0 1.5 1.5
4 ba 0.0 20.0 1.5 1.5 4 ba 0.0 20.0 1.5 1.5
equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474 equilibrium: 4 1.9216075064457567 1.9373154697137058 2.0943951023931953 1.8936822384138476
extract: ! "" extract: ! ""
natoms: 29 natoms: 29
init_energy: 45.6315872862689 init_energy: 46.440896837749044
init_stress: ! |2- init_stress: ! |2-
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init_forces: ! |2 init_forces: ! |2
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run_energy: 45.4459195202412 run_energy: 46.04254213414856
run_stress: ! |2- run_stress: ! |2-
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run_forces: ! |2 run_forces: ! |2
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... ...

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@ -1,7 +1,8 @@
--- ---
lammps_version: 10 Feb 2021 lammps_version: 14 Dec 2021
date_generated: Fri Feb 26 23:09:23 2021 date_generated: Tue Dec 21 11:26:44 2021
epsilon: 5e-13 epsilon: 5e-13
skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full
angle class2/p6 angle class2/p6
@ -21,73 +22,73 @@ angle_coeff: ! |
1 ba 20.0 0.0 1.5 1.5 1 ba 20.0 0.0 1.5 1.5
3 ba 10.0 10.0 1.5 1.5 3 ba 10.0 10.0 1.5 1.5
4 ba 0.0 20.0 1.5 1.5 4 ba 0.0 20.0 1.5 1.5
equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474 equilibrium: 4 1.9216075064457567 1.9373154697137058 2.0943951023931953 1.8936822384138476
extract: ! "" extract: ! ""
natoms: 29 natoms: 29
init_energy: 45.6314933281677 init_energy: 46.440802879647805
init_stress: ! |2- init_stress: ! |2-
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init_forces: ! |2 init_forces: ! |2
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... ...