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increase numdiff fudge factor so that individual epsilons need to be changed less

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This commit is contained in:
Axel Kohlmeyer
2024-01-13 10:33:13 -05:00
parent f93032b903
commit 9587e92a3c
9 changed files with 9 additions and 9 deletions
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2
unittest/force-styles/test_angle_style.cpp
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@ -564,7 +564,7 @@ TEST(AngleStyle, numdiff)
if (!verbose) ::testing::internal::GetCapturedStdout();
Fix *ifix = lmp->modify->get_fix_by_id("diff");
if (ifix) {
double epsilon = test_config.epsilon * 1.0e7;
double epsilon = test_config.epsilon * 5.0e8;
ErrorStats stats;
double **f1 = lmp->atom->f;
double **f2 = ifix->array_atom;

2
unittest/force-styles/test_bond_style.cpp
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@ -567,7 +567,7 @@ TEST(BondStyle, numdiff)
if (!verbose) ::testing::internal::GetCapturedStdout();
Fix *ifix = lmp->modify->get_fix_by_id("diff");
if (ifix) {
double epsilon = test_config.epsilon * 1.0e7;
double epsilon = test_config.epsilon * 5.0e8;
ErrorStats stats;
double **f1 = lmp->atom->f;
double **f2 = ifix->array_atom;

2
unittest/force-styles/test_dihedral_style.cpp
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@ -569,7 +569,7 @@ TEST(DihedralStyle, numdiff)
if (!verbose) ::testing::internal::GetCapturedStdout();
Fix *ifix = lmp->modify->get_fix_by_id("diff");
if (ifix) {
double epsilon = test_config.epsilon * 1.0e7;
double epsilon = test_config.epsilon * 5.0e8;
ErrorStats stats;
double **f1 = lmp->atom->f;
double **f2 = ifix->array_atom;

2
unittest/force-styles/test_improper_style.cpp
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@ -561,7 +561,7 @@ TEST(ImproperStyle, numdiff)
if (!verbose) ::testing::internal::GetCapturedStdout();
Fix *ifix = lmp->modify->get_fix_by_id("diff");
if (ifix) {
double epsilon = test_config.epsilon * 1.0e7;
double epsilon = test_config.epsilon * 5.0e8;
ErrorStats stats;
double **f1 = lmp->atom->f;
double **f2 = ifix->array_atom;

2
unittest/force-styles/tests/angle-gaussian.yaml
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@ -1,7 +1,7 @@
---
lammps_version: 17 Feb 2022
date_generated: Fri Mar 18 22:17:52 2022
epsilon: 7.5e-12
epsilon: 2.5e-13
skip_tests:
prerequisites: ! |
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2
unittest/force-styles/tests/angle-mm3.yaml
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@ -1,7 +1,7 @@
---
lammps_version: 17 Feb 2022
date_generated: Fri Mar 18 22:17:52 2022
epsilon: 1.5e-10
epsilon: 2.5e-12
skip_tests:
prerequisites: ! |
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2
unittest/force-styles/tests/dihedral-charmmfsw.yaml
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@ -1,7 +1,7 @@
---
lammps_version: 17 Feb 2022
date_generated: Fri Mar 18 22:18:02 2022
epsilon: 2.5e-10
epsilon: 5.0e-12
skip_tests:
prerequisites: ! |
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2
unittest/force-styles/tests/dihedral-table_cut_spline.yaml
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@ -1,7 +1,7 @@
---
lammps_version: 17 Feb 2022
date_generated: Fri Mar 18 22:18:02 2022
epsilon: 2.5e-12
epsilon: 2.5e-13
skip_tests:
prerequisites: ! |
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2
unittest/force-styles/tests/dihedral-table_spline.yaml
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@ -1,7 +1,7 @@
---
lammps_version: 22 Dec 2022
date_generated: Mon Dec 26 16:49:37 2022
epsilon: 5.0e-12
epsilon: 1.0e-13
skip_tests:
prerequisites: ! |
atom full