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temporarily skip some tests for REAXFF until working on PR #2708

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This commit is contained in:
Axel Kohlmeyer
2021-07-12 05:43:04 -04:00
parent bc4f2b65ae
commit 05f28661f2
4 changed files with 4 additions and 1 deletions
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2
unittest/force-styles/test_pair_style.cpp
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@ -525,7 +525,7 @@ TEST(PairStyle, plain)
// pair style rann does not support pair_modify nofdotr // pair style rann does not support pair_modify nofdotr
// temporarily disable testing pair style reax/c until we merge the other fixes // temporarily disable testing pair style reax/c until we merge the other fixes
if ((test_config.pair_style != "rann") && (test_config.pair_style != "reax/c")) { if ((test_config.pair_style != "rann") && !(test_config.pair_style.find("reax") != std::string::npos)) {
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();
restart_lammps(lmp, test_config, true); restart_lammps(lmp, test_config, true);
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();

1
unittest/force-styles/tests/atomic-pair-reax_c.yaml
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@ -2,6 +2,7 @@
lammps_version: 24 Aug 2020 lammps_version: 24 Aug 2020
date_generated: Tue Sep 15 09:44:24 202 date_generated: Tue Sep 15 09:44:24 202
epsilon: 5e-11 epsilon: 5e-11
skip_tests: omp
prerequisites: ! | prerequisites: ! |
pair reax/c pair reax/c
fix qeq/reax fix qeq/reax

1
unittest/force-styles/tests/atomic-pair-reax_c_lgvdw.yaml
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@ -2,6 +2,7 @@
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:06 2021 date_generated: Fri Feb 26 23:09:06 2021
epsilon: 2e-10 epsilon: 2e-10
skip_tests: omp
prerequisites: ! | prerequisites: ! |
pair reax/c pair reax/c
fix qeq/reax fix qeq/reax

1
unittest/force-styles/tests/atomic-pair-reax_c_noqeq.yaml
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@ -2,6 +2,7 @@
lammps_version: 10 Feb 2021 lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:08 2021 date_generated: Fri Feb 26 23:09:08 2021
epsilon: 5e-13 epsilon: 5e-13
skip_tests: omp
prerequisites: ! | prerequisites: ! |
pair reax/c pair reax/c
pre_commands: ! | pre_commands: ! |