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Merge branch 'develop' into refactor-compute-chunk

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This commit is contained in:
Axel Kohlmeyer
2023-03-23 18:34:00 -04:00
parent 29e724b810 ee9c7cbe3a
commit 1666f5f903
223 changed files with 33674 additions and 48091 deletions
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16
unittest/commands/test_kim_commands.cpp
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@ -92,14 +92,14 @@ TEST_F(KimCommandsTest, kim_interactions)
{
if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP();
TEST_FAILURE(".*ERROR: Illegal 'kim interactions' command.*", command("kim interactions"););
TEST_FAILURE(".*ERROR: Illegal kim interactions command: missing argument.*",
command("kim interactions"););
BEGIN_HIDE_OUTPUT();
command("kim init LennardJones_Ar real");
END_HIDE_OUTPUT();
TEST_FAILURE(".*ERROR: Must use 'kim interactions' command "
"after simulation box is defined.*",
TEST_FAILURE(".*ERROR: Use of 'kim interactions' before simulation box is defined.*",
command("kim interactions Ar"););
BEGIN_HIDE_OUTPUT();
@ -410,11 +410,11 @@ TEST_F(KimCommandsTest, kim_property)
"3 >= 3.6 support.*",
command("kim property"););
} else {
TEST_FAILURE(".*ERROR: Invalid 'kim property' command.*", command("kim property"););
TEST_FAILURE(".*ERROR: Invalid 'kim property' command.*", command("kim property create"););
TEST_FAILURE(".*ERROR: Incorrect arguments in 'kim property' command."
"\n'kim property create/destroy/modify/remove/dump' "
"is mandatory.*",
TEST_FAILURE(".*ERROR: Illegal kim property command: missing argument.*",
command("kim property"););
TEST_FAILURE(".*ERROR: Illegal kim property command: missing argument.*",
command("kim property create"););
TEST_FAILURE(".*ERROR: Incorrect first argument unknown to 'kim property' command.*",
command("kim property unknown 1 atomic-mass"););
}
#if defined(KIM_EXTRA_UNITTESTS)