update unit test files to implementation changes

2022-04-22 12:08:23 -04:00
parent b4e2e2ec34
commit c0d0c84f7d
6 changed files with 9 additions and 6 deletions
--- a/unittest/force-styles/tests/angle-cosine.yaml
+++ b/unittest/force-styles/tests/angle-cosine.yaml
@ -16,7 +16,8 @@ angle_coeff: ! |
  3  50.0
  4 100.0
 equilibrium: 4 3.141592653589793 3.141592653589793 3.141592653589793 3.141592653589793
-extract: ! ""
+extract: ! |
+  k 1
 natoms: 29
 init_energy: 1347.8670856939623
 init_stress: ! |2-
--- a/unittest/force-styles/tests/angle-harmonic.yaml
+++ b/unittest/force-styles/tests/angle-harmonic.yaml
@ -16,7 +16,9 @@ angle_coeff: ! |
  3  50.0 120.0
  4 100.0 108.5
 equilibrium: 4 1.9216075064457567 1.9373154697137058 2.0943951023931953 1.8936822384138476
-extract: ! ""
+extract: ! |
+  k 1
+  theta0 1
 natoms: 29
 init_energy: 41.53081789649104
 init_stress: ! |2-
--- a/unittest/force-styles/tests/bond-fene.yaml
+++ b/unittest/force-styles/tests/bond-fene.yaml
@ -18,7 +18,7 @@ bond_coeff: ! |
  5 450 2   0.018 1
 equilibrium: 5 1.455 1.067 1.261 1.164 0.97
 extract: ! |
-  kappa 1
+  k 1
  r0 1
 natoms: 29
 init_energy: 7104.900486467235
--- a/unittest/force-styles/tests/bond-fene_nm.yaml
+++ b/unittest/force-styles/tests/bond-fene_nm.yaml
@ -18,7 +18,7 @@ bond_coeff: ! |
  5 450 2   0.018 1   12 6
 equilibrium: 5 1.455 1.067 1.261 1.164 0.97
 extract: ! |
-  kappa 1
+  k 1
  r0 1
 natoms: 29
 init_energy: 7104.538647187164
--- a/unittest/force-styles/tests/bond-gromos.yaml
+++ b/unittest/force-styles/tests/bond-gromos.yaml
@ -18,7 +18,7 @@ bond_coeff: ! |
  5 450.0 1.0
 equilibrium: 5 1.5 1.1 1.3 1.2 1
 extract: ! |
-  kappa 1
+  k 1
  r0 1
 natoms: 29
 init_energy: 33.70930417641326
--- a/unittest/force-styles/tests/bond-harmonic.yaml
+++ b/unittest/force-styles/tests/bond-harmonic.yaml
@ -18,7 +18,7 @@ bond_coeff: ! |
  5 450.0 1.0
 equilibrium: 5 1.5 1.1 1.3 1.2 1
 extract: ! |
-  kappa 1
+  k 1
  r0 1
 natoms: 29
 init_energy: 4.789374024601252