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simplify and apply clang-format

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This commit is contained in:
Axel Kohlmeyer
2021-03-24 11:24:55 -04:00
parent b6a030532d
commit 487c55edf0
21 changed files with 983 additions and 1016 deletions
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612
unittest/commands/test_kim_commands.cpp
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@ -59,6 +59,7 @@ using ::testing::StrEq;
class KimCommandsTest : public ::testing::Test {
protected:
LAMMPS *lmp;
Variable *variable;
void SetUp() override
{
@ -68,6 +69,7 @@ protected:
if (!verbose) ::testing::internal::CaptureStdout();
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
if (!verbose) ::testing::internal::GetCapturedStdout();
variable = lmp->input->variable;
}
void TearDown() override
@ -76,53 +78,45 @@ protected:
delete lmp;
if (!verbose) ::testing::internal::GetCapturedStdout();
}
void command(const std::string &cmd) { lmp->input->one(cmd); }
};
TEST_F(KimCommandsTest, kim)
{
if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP();
TEST_FAILURE(".*ERROR: Illegal kim command.*",
lmp->input->one("kim"););
TEST_FAILURE(".*ERROR: Unknown kim subcommand.*",
lmp->input->one("kim unknown"););
TEST_FAILURE(".*kim_init.*has been renamed to.*",
lmp->input->one("kim_init"););
TEST_FAILURE(".*kim_interactions.*has been renamed to.*",
lmp->input->one("kim_interactions"););
TEST_FAILURE(".*kim_param.*has been renamed to.*",
lmp->input->one("kim_param"););
TEST_FAILURE(".*kim_property.*has been renamed to.*",
lmp->input->one("kim_property"););
TEST_FAILURE(".*kim_query.*has been renamed to.*",
lmp->input->one("kim_query"););
TEST_FAILURE(".*ERROR: Illegal kim command.*", command("kim"););
TEST_FAILURE(".*ERROR: Unknown kim subcommand.*", command("kim unknown"););
TEST_FAILURE(".*kim_init.*has been renamed to.*", command("kim_init"););
TEST_FAILURE(".*kim_interactions.*has been renamed to.*", command("kim_interactions"););
TEST_FAILURE(".*kim_param.*has been renamed to.*", command("kim_param"););
TEST_FAILURE(".*kim_property.*has been renamed to.*", command("kim_property"););
TEST_FAILURE(".*kim_query.*has been renamed to.*", command("kim_query"););
}
TEST_F(KimCommandsTest, kim_init)
{
if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP();
TEST_FAILURE(".*ERROR: Illegal 'kim init' command.*", command("kim init"););
TEST_FAILURE(".*ERROR: Illegal 'kim init' command.*",
lmp->input->one("kim init"););
TEST_FAILURE(".*ERROR: Illegal 'kim init' command.*",
lmp->input->one("kim init LennardJones_Ar real si"););
command("kim init LennardJones_Ar real si"););
TEST_FAILURE(".*ERROR: LAMMPS unit_style lj not supported by KIM models.*",
lmp->input->one("kim init LennardJones_Ar lj"););
command("kim init LennardJones_Ar lj"););
TEST_FAILURE(".*ERROR: LAMMPS unit_style micro not supported by KIM models.*",
lmp->input->one("kim init LennardJones_Ar micro"););
command("kim init LennardJones_Ar micro"););
TEST_FAILURE(".*ERROR: LAMMPS unit_style nano not supported by KIM models.*",
lmp->input->one("kim init LennardJones_Ar nano"););
TEST_FAILURE(".*ERROR: Unknown unit_style.*",
lmp->input->one("kim init LennardJones_Ar new_style"););
TEST_FAILURE(".*ERROR: KIM Model name not found.*",
lmp->input->one("kim init Unknown_Model real"););
command("kim init LennardJones_Ar nano"););
TEST_FAILURE(".*ERROR: Unknown unit_style.*", command("kim init LennardJones_Ar new_style"););
TEST_FAILURE(".*ERROR: KIM Model name not found.*", command("kim init Unknown_Model real"););
TEST_FAILURE(".*ERROR: Incompatible units for KIM Simulator Model, required units = metal.*",
lmp->input->one("kim init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu real"););
command("kim init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu real"););
// TEST_FAILURE(".*ERROR: KIM Model does not support the requested unit system.*",
// lmp->input->one("kim init ex_model_Ar_P_Morse real"););
// command("kim init ex_model_Ar_P_Morse real"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim init LennardJones_Ar real");
command("kim init LennardJones_Ar real");
if (!verbose) ::testing::internal::GetCapturedStdout();
int ifix = lmp->modify->find_fix("KIM_MODEL_STORE");
@ -133,124 +127,122 @@ TEST_F(KimCommandsTest, kim_interactions)
{
if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP();
TEST_FAILURE(".*ERROR: Illegal 'kim interactions' command.*",
lmp->input->one("kim interactions"););
TEST_FAILURE(".*ERROR: Illegal 'kim interactions' command.*", command("kim interactions"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim init LennardJones_Ar real");
command("kim init LennardJones_Ar real");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: Must use 'kim interactions' command "
"after simulation box is defined.*",
lmp->input->one("kim interactions Ar"););
command("kim interactions Ar"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim init LennardJones_Ar real");
lmp->input->one("lattice fcc 4.4300");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
command("kim init LennardJones_Ar real");
command("lattice fcc 4.4300");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: Illegal 'kim interactions' command.*",
lmp->input->one("kim interactions Ar Ar"););
command("kim interactions Ar Ar"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("lattice fcc 4.4300");
lmp->input->one("region box block 0 20 0 20 0 20");
lmp->input->one("create_box 4 box");
lmp->input->one("create_atoms 4 box");
command("clear");
command("lattice fcc 4.4300");
command("region box block 0 20 0 20 0 20");
command("create_box 4 box");
command("create_atoms 4 box");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: Illegal 'kim interactions' command.*",
lmp->input->one("kim interactions Ar Ar"););
command("kim interactions Ar Ar"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("lattice fcc 4.4300");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
command("clear");
command("lattice fcc 4.4300");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: Must use 'kim init' before 'kim interactions'.*",
lmp->input->one("kim interactions Ar"););
command("kim interactions Ar"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init LennardJones_Ar real");
lmp->input->one("lattice fcc 4.4300");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
command("clear");
command("kim init LennardJones_Ar real");
command("lattice fcc 4.4300");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: fixed_types cannot be used with a KIM Portable Model.*",
lmp->input->one("kim interactions fixed_types"););
command("kim interactions fixed_types"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("units real");
lmp->input->one("pair_style kim LennardJones_Ar");
lmp->input->one("region box block 0 1 0 1 0 1");
lmp->input->one("create_box 4 box");
lmp->input->one("pair_coeff * * Ar Ar Ar Ar");
command("clear");
command("units real");
command("pair_style kim LennardJones_Ar");
command("region box block 0 1 0 1 0 1");
command("create_box 4 box");
command("pair_coeff * * Ar Ar Ar Ar");
if (!verbose) ::testing::internal::GetCapturedStdout();
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu metal");
lmp->input->one("lattice fcc 4.920");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
command("clear");
command("kim init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu metal");
command("lattice fcc 4.920");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: Species 'Ar' is not supported by this KIM Simulator Model.*",
lmp->input->one("kim interactions Ar"););
command("kim interactions Ar"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu metal");
lmp->input->one("lattice fcc 4.08");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
lmp->input->one("kim interactions Au");
command("clear");
command("kim init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu metal");
command("lattice fcc 4.08");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
command("kim interactions Au");
if (!verbose) ::testing::internal::GetCapturedStdout();
// ASSERT_EQ(lmp->output->var_kim_periodic, 1);
// TEST_FAILURE(".*ERROR: Incompatible units for KIM Simulator Model.*",
// lmp->input->one("kim interactions Au"););
// command("kim interactions Au"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init LennardJones_Ar real");
lmp->input->one("lattice fcc 4.4300");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
lmp->input->one("kim interactions Ar");
lmp->input->one("mass 1 39.95");
command("clear");
command("kim init LennardJones_Ar real");
command("lattice fcc 4.4300");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
command("kim interactions Ar");
command("mass 1 39.95");
if (!verbose) ::testing::internal::GetCapturedStdout();
int ifix = lmp->modify->find_fix("KIM_MODEL_STORE");
ASSERT_GE(ifix, 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init LennardJones_Ar real");
lmp->input->one("lattice fcc 4.4300");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
lmp->input->one("kim interactions Ar");
lmp->input->one("mass 1 39.95");
lmp->input->one("run 1");
lmp->input->one("kim interactions Ar");
lmp->input->one("run 1");
command("clear");
command("kim init LennardJones_Ar real");
command("lattice fcc 4.4300");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
command("kim interactions Ar");
command("mass 1 39.95");
command("run 1");
command("kim interactions Ar");
command("run 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
}
@ -258,189 +250,188 @@ TEST_F(KimCommandsTest, kim_param)
{
if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP();
TEST_FAILURE(".*ERROR: Illegal 'kim param' command.*",
lmp->input->one("kim param"););
TEST_FAILURE(".*ERROR: Illegal 'kim param' command.*", command("kim param"););
TEST_FAILURE(".*ERROR: Incorrect arguments in 'kim param' command.\n"
"'kim param get/set' is mandatory.*",
lmp->input->one("kim param unknown shift 1 shift"););
command("kim param unknown shift 1 shift"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu metal");
command("clear");
command("kim init Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu metal");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: 'kim param' can only be used with a KIM Portable Model.*",
lmp->input->one("kim param get shift 1 shift"););
command("kim param get shift 1 shift"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init LennardJones612_UniversalShifted__MO_959249795837_003 real");
command("clear");
command("kim init LennardJones612_UniversalShifted__MO_959249795837_003 real");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: Illegal 'kim param get' command.\nTo get the new "
"parameter values, pair style must be assigned.\nMust use 'kim"
" interactions' or 'pair_style kim' before 'kim param get'.*",
lmp->input->one("kim param get shift 1 shift"););
command("kim param get shift 1 shift"););
TEST_FAILURE(".*ERROR: Illegal 'kim param set' command.\nTo set the new "
"parameter values, pair style must be assigned.\nMust use 'kim"
" interactions' or 'pair_style kim' before 'kim param set'.*",
lmp->input->one("kim param set shift 1 2"););
command("kim param set shift 1 2"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init LennardJones612_UniversalShifted__MO_959249795837_003 real");
lmp->input->one("lattice fcc 4.4300");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
lmp->input->one("kim interactions Ar");
lmp->input->one("mass 1 39.95");
command("clear");
command("kim init LennardJones612_UniversalShifted__MO_959249795837_003 real");
command("lattice fcc 4.4300");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
command("kim interactions Ar");
command("mass 1 39.95");
if (!verbose) ::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: Illegal index '0' for "
"'shift' parameter with the extent of '1'.*",
lmp->input->one("kim param get shift 0 shift"););
command("kim param get shift 0 shift"););
TEST_FAILURE(".*ERROR: Illegal index '2' for "
"'shift' parameter with the extent of '1'.*",
lmp->input->one("kim param get shift 2 shift"););
command("kim param get shift 2 shift"););
TEST_FAILURE(".*ERROR: Illegal index_range.\nExpected integer "
"parameter\\(s\\) instead of '1.' in index_range.*",
lmp->input->one("kim param get shift 1. shift"););
command("kim param get shift 1. shift"););
TEST_FAILURE(".*ERROR: Illegal index_range '1-2' for 'shift' "
"parameter with the extent of '1'.*",
lmp->input->one("kim param get shift 1:2 shift"););
command("kim param get shift 1:2 shift"););
TEST_FAILURE(".*ERROR: Illegal index_range.\nExpected integer "
"parameter\\(s\\) instead of '1-2' in index_range.*",
lmp->input->one("kim param get shift 1-2 shift"););
command("kim param get shift 1-2 shift"););
TEST_FAILURE(".*ERROR: Wrong number of arguments in 'kim param "
"get' command.\nThe LAMMPS '3' variable names or "
"'s1 split' is mandatory.*",
lmp->input->one("kim param get sigmas 1:3 s1 s2"););
command("kim param get sigmas 1:3 s1 s2"););
TEST_FAILURE(".*ERROR: Wrong argument in 'kim param get' command.\nThis "
"Model does not have the requested 'unknown' parameter.*",
lmp->input->one("kim param get unknown 1 unknown"););
command("kim param get unknown 1 unknown"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim param get shift 1 shift");
command("kim param get shift 1 shift");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FALSE(lmp->input->variable->find("shift") == -1);
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("shift")) == "1");
ASSERT_FALSE(variable->find("shift") == -1);
ASSERT_THAT(variable->retrieve("shift"), StrEq("1"));
TEST_FAILURE(".*ERROR: Illegal index '2' for "
"'shift' parameter with the extent of '1'.*",
lmp->input->one("kim param set shift 2 2"););
command("kim param set shift 2 2"););
TEST_FAILURE(".*ERROR: Illegal index_range.\nExpected integer "
"parameter\\(s\\) instead of '1.' in index_range.*",
lmp->input->one("kim param set shift 1. shift"););
command("kim param set shift 1. shift"););
TEST_FAILURE(".*ERROR: Illegal index_range '1-2' for "
"'shift' parameter with the extent of '1'.*",
lmp->input->one("kim param set shift 1:2 2"););
command("kim param set shift 1:2 2"););
TEST_FAILURE(".*ERROR: Wrong number of variable values for pair coefficients.*",
lmp->input->one("kim param set sigmas 1:3 0.5523570 0.4989030"););
command("kim param set sigmas 1:3 0.5523570 0.4989030"););
TEST_FAILURE(".*ERROR: Wrong argument for pair coefficients.\nThis "
"Model does not have the requested '0.4989030' parameter.*",
lmp->input->one("kim param set sigmas 1:1 0.5523570 0.4989030"););
command("kim param set sigmas 1:1 0.5523570 0.4989030"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("variable new_shift equal 2");
lmp->input->one("kim param set shift 1 ${new_shift}");
lmp->input->one("kim param get shift 1 shift");
command("variable new_shift equal 2");
command("kim param set shift 1 ${new_shift}");
command("kim param get shift 1 shift");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("shift")) == "2");
ASSERT_THAT(variable->retrieve("shift"), StrEq("2"));
TEST_FAILURE(".*ERROR: Illegal variable name in 'kim param get'.*",
lmp->input->one("kim param get cutoffs 1:3 list"););
command("kim param get cutoffs 1:3 list"););
TEST_FAILURE(".*ERROR: Illegal variable name in 'kim param get'.*",
lmp->input->one("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 list"););
command("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 list"););
TEST_FAILURE(".*ERROR: Illegal variable name in 'kim param get'.*",
lmp->input->one("kim param get cutoffs 1:3 split"););
command("kim param get cutoffs 1:3 split"););
TEST_FAILURE(".*ERROR: Illegal variable name in 'kim param get'.*",
lmp->input->one("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 split"););
command("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 split"););
TEST_FAILURE(".*ERROR: Illegal variable name in 'kim param get'.*",
lmp->input->one("kim param get cutoffs 1:3 explicit"););
command("kim param get cutoffs 1:3 explicit"););
TEST_FAILURE(".*ERROR: Illegal variable name in 'kim param get'.*",
lmp->input->one("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 explicit"););
command("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 explicit"););
TEST_FAILURE(".*ERROR: Wrong number of arguments in 'kim param get' "
"command.\nThe LAMMPS '3' variable names or 'cutoffs "
"split/list' is mandatory.*",
lmp->input->one("kim param get cutoffs 1:3 cutoffs"););
command("kim param get cutoffs 1:3 cutoffs"););
TEST_FAILURE(".*ERROR: Wrong number of arguments in 'kim param get' "
"command.\nThe LAMMPS '3' variable names or 'cutoffs_1 "
"split' is mandatory.*",
lmp->input->one("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2"););
command("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 cutoffs_3");
command("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 cutoffs_3");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_1")) == "2.20943");
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_2")) == "2.10252");
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_3")) == "5.666115");
ASSERT_THAT(variable->retrieve("cutoffs_1"), StrEq("2.20943"));
ASSERT_THAT(variable->retrieve("cutoffs_2"), StrEq("2.10252"));
ASSERT_THAT(variable->retrieve("cutoffs_3"), StrEq("5.666115"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 cutoffs_3 explicit");
command("kim param get cutoffs 1:3 cutoffs_1 cutoffs_2 cutoffs_3 explicit");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_1")) == "2.20943");
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_2")) == "2.10252");
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_3")) == "5.666115");
ASSERT_THAT(variable->retrieve("cutoffs_1"), StrEq("2.20943"));
ASSERT_THAT(variable->retrieve("cutoffs_2"), StrEq("2.10252"));
ASSERT_THAT(variable->retrieve("cutoffs_3"), StrEq("5.666115"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim param get cutoffs 1:3 cutoffs split");
command("kim param get cutoffs 1:3 cutoffs split");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_1")) == "2.20943");
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_2")) == "2.10252");
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs_3")) == "5.666115");
ASSERT_THAT(variable->retrieve("cutoffs_1"), StrEq("2.20943"));
ASSERT_THAT(variable->retrieve("cutoffs_2"), StrEq("2.10252"));
ASSERT_THAT(variable->retrieve("cutoffs_3"), StrEq("5.666115"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim param get cutoffs 1:3 cutoffs list");
command("kim param get cutoffs 1:3 cutoffs list");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs")) == "2.20943 2.10252 5.666115");
ASSERT_THAT(variable->retrieve("cutoffs"), StrEq("2.20943 2.10252 5.666115"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim param set cutoffs 1 2.21 cutoffs 2 2.11");
lmp->input->one("kim param get cutoffs 1:2 cutoffs list");
command("kim param set cutoffs 1 2.21 cutoffs 2 2.11");
command("kim param get cutoffs 1:2 cutoffs list");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs")) == "2.21 2.11");
ASSERT_THAT(variable->retrieve("cutoffs"), StrEq("2.21 2.11"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim param set cutoffs 1:3 2.3 2.2 5.7");
lmp->input->one("kim param get cutoffs 1:3 cutoffs list");
command("kim param set cutoffs 1:3 2.3 2.2 5.7");
command("kim param get cutoffs 1:3 cutoffs list");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("cutoffs")) == "2.3 2.2 5.7");
ASSERT_THAT(variable->retrieve("cutoffs"), StrEq("2.3 2.2 5.7"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("units real");
lmp->input->one("lattice fcc 4.4300");
lmp->input->one("region box block 0 10 0 10 0 10");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 box");
lmp->input->one("mass 1 39.95");
lmp->input->one("pair_style kim LennardJones612_UniversalShifted__MO_959249795837_003");
lmp->input->one("pair_coeff * * Ar");
command("clear");
command("units real");
command("lattice fcc 4.4300");
command("region box block 0 10 0 10 0 10");
command("create_box 1 box");
command("create_atoms 1 box");
command("mass 1 39.95");
command("pair_style kim LennardJones612_UniversalShifted__MO_959249795837_003");
command("pair_coeff * * Ar");
if (!verbose) ::testing::internal::GetCapturedStdout();
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("kim param get shift 1 shift");
command("kim param get shift 1 shift");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("shift")) == "1");
ASSERT_THAT(variable->retrieve("shift"), StrEq("1"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("variable new_shift equal 2");
lmp->input->one("kim param set shift 1 ${new_shift}");
lmp->input->one("kim param get shift 1 shift");
command("variable new_shift equal 2");
command("kim param set shift 1 ${new_shift}");
command("kim param get shift 1 shift");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE(std::string(lmp->input->variable->retrieve("shift")) == "2");
ASSERT_THAT(variable->retrieve("shift"), StrEq("2"));
}
TEST_F(KimCommandsTest, kim_property)
@ -452,38 +443,36 @@ TEST_F(KimCommandsTest, kim_property)
TEST_FAILURE(".*ERROR: Invalid Python version.\n"
"The kim-property Python package requires Python "
"3 >= 3.6 support.*",
lmp->input->one("kim property"););
command("kim property"););
} else {
TEST_FAILURE(".*ERROR: Invalid 'kim property' command.*",
lmp->input->one("kim property"););
TEST_FAILURE(".*ERROR: Invalid 'kim property' command.*",
lmp->input->one("kim property create"););
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.*",
lmp->input->one("kim property unknown 1 atomic-mass"););
command("kim property unknown 1 atomic-mass"););
}
#if defined(KIM_EXTRA_UNITTESTS)
TEST_FAILURE(".*ERROR: Invalid 'kim property create' command.*",
lmp->input->one("kim property create 1"););
command("kim property create 1"););
TEST_FAILURE(".*ERROR: Invalid 'kim property destroy' command.*",
lmp->input->one("kim property destroy 1 cohesive-potential-energy-cubic-crystal"););
command("kim property destroy 1 cohesive-potential-energy-cubic-crystal"););
TEST_FAILURE(".*ERROR: Invalid 'kim property modify' command.*",
lmp->input->one("kim property modify 1 key short-name"););
command("kim property modify 1 key short-name"););
TEST_FAILURE(".*ERROR: There is no property instance to modify the content.*",
lmp->input->one("kim property modify 1 key short-name source-value 1 fcc"););
command("kim property modify 1 key short-name source-value 1 fcc"););
TEST_FAILURE(".*ERROR: Invalid 'kim property remove' command.*",
lmp->input->one("kim property remove 1 key"););
command("kim property remove 1 key"););
TEST_FAILURE(".*ERROR: There is no property instance to remove the content.*",
lmp->input->one("kim property remove 1 key short-name"););
command("kim property remove 1 key short-name"););
TEST_FAILURE(".*ERROR: There is no property instance to dump the content.*",
lmp->input->one("kim property dump results.edn"););
command("kim property dump results.edn"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init LennardJones612_UniversalShifted__MO_959249795837_003 real");
lmp->input->one("kim property create 1 cohesive-potential-energy-cubic-crystal");
lmp->input->one("kim property modify 1 key short-name source-value 1 fcc");
lmp->input->one("kim property destroy 1");
command("clear");
command("kim init LennardJones612_UniversalShifted__MO_959249795837_003 real");
command("kim property create 1 cohesive-potential-energy-cubic-crystal");
command("kim property modify 1 key short-name source-value 1 fcc");
command("kim property destroy 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
#endif
}
@ -492,264 +481,233 @@ TEST_F(KimCommandsTest, kim_query)
{
if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP();
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.*",
lmp->input->one("kim query"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.*", command("kim query"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe keyword 'split' "
"must be followed by the name of the query function.*",
lmp->input->one("kim query a0 split"););
command("kim query a0 split"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe keyword 'list' "
"must be followed by the name of the query function.*",
lmp->input->one("kim query a0 list"););
command("kim query a0 list"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe keyword 'index' "
"must be followed by the name of the query function.*",
lmp->input->one("kim query a0 index"););
command("kim query a0 index"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe 'list' keyword "
"can not be used after 'split'.*",
lmp->input->one("kim query a0 split list"););
command("kim query a0 split list"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe 'index' keyword "
"can not be used after 'split'.*",
lmp->input->one("kim query a0 split index"););
command("kim query a0 split index"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe 'split' keyword "
"can not be used after 'list'.*",
lmp->input->one("kim query a0 list split"););
command("kim query a0 list split"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe 'index' keyword "
"can not be used after 'list'.*",
lmp->input->one("kim query a0 list index"););
command("kim query a0 list index"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe 'list' keyword "
"can not be used after 'index'.*",
lmp->input->one("kim query a0 index list"););
command("kim query a0 index list"););
TEST_FAILURE(".*ERROR: Illegal 'kim query' command.\nThe 'split' keyword "
"can not be used after 'index'.*",
lmp->input->one("kim query a0 index split"););
command("kim query a0 index split"););
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `crystal` "
"to 'kim query' is wrong. The query format is the "
"keyword=\\[value\\], where value is always an array of one "
"or more comma-separated items.*",
lmp->input->one("kim query a0 get_lattice_constant_cubic "
"crystal"););
command("kim query a0 get_lattice_constant_cubic "
"crystal"););
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `"
"crystal=fcc` to 'kim query' is wrong. The query format is the "
"keyword=\\[value\\], where value is always an array of one "
"or more comma-separated items.*",
lmp->input->one("kim query a0 get_lattice_constant_cubic "
"crystal=fcc"););
command("kim query a0 get_lattice_constant_cubic "
"crystal=fcc"););
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `"
"crystal=\\[fcc` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one("kim query a0 get_lattice_constant_cubic "
"crystal=[fcc"););
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `"
command("kim query a0 get_lattice_constant_cubic "
"crystal=[fcc"););
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `"
"crystal=fcc\\]` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one("kim query a0 get_lattice_constant_cubic "
"crystal=fcc]"););
command("kim query a0 get_lattice_constant_cubic "
"crystal=fcc]"););
std::string squery("kim query a0 get_lattice_constant_cubic ");
squery += "crystal=[\"fcc\"] species=\"Al\",\"Ni\" units=[\"angstrom\"]";
std::string squery = "kim query a0 get_lattice_constant_cubic "
"crystal=[\"fcc\"] species=\"Al\",\"Ni\" units=[\"angstrom\"]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"\"Al\",\"Ni\"` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=Al,Ni units=[angstrom]";
squery = "kim query a0 get_lattice_constant_cubic crystal=[fcc] species=Al,Ni units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"Al,Ni` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=Al,Ni, units=[angstrom]";
squery =
"kim query a0 get_lattice_constant_cubic crystal=[fcc] species=Al,Ni, units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"Al,Ni,` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=[Al,Ni, units=[angstrom]";
squery =
"kim query a0 get_lattice_constant_cubic crystal=[fcc] species=[Al,Ni, units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"\\[Al,Ni,` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=Al,Ni], units=[angstrom]";
squery =
"kim query a0 get_lattice_constant_cubic crystal=[fcc] species=Al,Ni], units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"Al,Ni\\],` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=Al,\"Ni\"], units=[angstrom]";
squery = "kim query a0 get_lattice_constant_cubic crystal=[fcc] species=Al,\"Ni\"], "
"units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"Al,\"Ni\"\\],` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=\"Al\",Ni], units=[angstrom]";
squery = "kim query a0 get_lattice_constant_cubic crystal=[fcc] species=\"Al\",Ni], "
"units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"\"Al\",Ni\\],` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic crystal=[\"fcc\"] "
"species=[\"Al\"]";
squery = "kim query a0 get_lattice_constant_cubic crystal=[\"fcc\"] species=[\"Al\"]";
TEST_FAILURE(".*ERROR: Illegal query format.\nMust use 'kim init' before "
"'kim query' or must provide the model name after query "
"function with the format of 'model=\\[model_name\\]'.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic crystal=[fcc] "
"species=[Al]";
squery = "kim query a0 get_lattice_constant_cubic crystal=[fcc] species=[Al]";
TEST_FAILURE(".*ERROR: Illegal query format.\nMust use 'kim init' before "
"'kim query' or must provide the model name after query "
"function with the format of 'model=\\[model_name\\]'.*",
lmp->input->one(squery););
command(squery););
squery = "kim query a0 get_lattice_constant_cubic crystal=[\"fcc\"] "
"species=[Al]";
squery = "kim query a0 get_lattice_constant_cubic crystal=[\"fcc\"] species=[Al]";
TEST_FAILURE(".*ERROR: Illegal query format.\nMust use 'kim init' before "
"'kim query' or must provide the model name after query "
"function with the format of 'model=\\[model_name\\]'.*",
lmp->input->one(squery););
command(squery););
#if defined(KIM_EXTRA_UNITTESTS)
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
squery = "kim query latconst_1 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=[Al] units=[angstrom] ";
squery += "model=[EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005]";
lmp->input->one(squery);
command("clear");
command("kim query latconst_1 get_lattice_constant_cubic "
"crystal=[fcc] species=[Al] units=[angstrom] "
"model=[EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005]");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE((std::string(lmp->input->variable->retrieve("latconst_1")) ==
"4.032082033157349"));
ASSERT_THAT(variable->retrieve("latconst_1"), StrEq("4.032082033157349"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal");
command("clear");
command("kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal");
command("kim query latconst_1 get_lattice_constant_cubic crystal=[fcc] species=[Al] "
"units=[angstrom]");
squery = "kim query latconst_1 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=[Al] units=[angstrom]";
lmp->input->one(squery);
squery = "kim query latconst_2 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=[Al] units=[angstrom] ";
squery += "model=[LennardJones612_UniversalShifted__MO_959249795837_003]";
lmp->input->one(squery);
command("kim query latconst_2 get_lattice_constant_cubic crystal=[fcc] species=[Al] "
"units=[angstrom] "
"model=[LennardJones612_UniversalShifted__MO_959249795837_003]");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE((std::string(lmp->input->variable->retrieve("latconst_1")) ==
"4.032082033157349"));
ASSERT_TRUE((std::string(lmp->input->variable->retrieve("latconst_2")) ==
"3.328125931322575"));
ASSERT_THAT(variable->retrieve("latconst_1"), StrEq("4.032082033157349"));
ASSERT_THAT(variable->retrieve("latconst_2"), StrEq("3.328125931322575"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init EAM_Dynamo_MendelevAckland_2007v3_Zr__MO_004835508849_000 metal");
command("clear");
command("kim init EAM_Dynamo_MendelevAckland_2007v3_Zr__MO_004835508849_000 metal");
squery = "kim query latconst split get_lattice_constant_hexagonal ";
squery += "crystal=[hcp] species=[Zr] units=[angstrom]";
lmp->input->one(squery);
command("kim query latconst split get_lattice_constant_hexagonal crystal=[hcp] species=[Zr] "
"units=[angstrom]");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE((std::string(lmp->input->variable->retrieve("latconst_1")) ==
"3.234055244384789"));
ASSERT_TRUE((std::string(lmp->input->variable->retrieve("latconst_2")) ==
"5.167650199630013"));
ASSERT_THAT(variable->retrieve("latconst_1"), StrEq("3.234055244384789"));
ASSERT_THAT(variable->retrieve("latconst_2"), StrEq("5.167650199630013"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
command("clear");
squery = "kim query latconst index get_lattice_constant_hexagonal ";
squery += "crystal=[hcp] species=[Zr] units=[angstrom] ";
squery += "model=[EAM_Dynamo_MendelevAckland_2007v3_Zr__MO_004835508849_000]";
lmp->input->one(squery);
command("kim query latconst index get_lattice_constant_hexagonal "
"crystal=[hcp] species=[Zr] units=[angstrom] "
"model=[EAM_Dynamo_MendelevAckland_2007v3_Zr__MO_004835508849_000]");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE((std::string(lmp->input->variable->retrieve("latconst")) ==
"3.234055244384789"));
ASSERT_THAT(variable->retrieve("latconst"), StrEq("3.234055244384789"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("variable latconst delete");
lmp->input->one("clear");
lmp->input->one("kim init EAM_Dynamo_MendelevAckland_2007v3_Zr__MO_004835508849_000 metal");
command("variable latconst delete");
command("clear");
command("kim init EAM_Dynamo_MendelevAckland_2007v3_Zr__MO_004835508849_000 metal");
squery = "kim query latconst list get_lattice_constant_hexagonal ";
squery += "crystal=[hcp] species=[Zr] units=[angstrom]";
lmp->input->one(squery);
command("kim query latconst list get_lattice_constant_hexagonal crystal=[hcp] species=[Zr] "
"units=[angstrom]");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE((std::string(lmp->input->variable->retrieve("latconst")) ==
"3.234055244384789 5.167650199630013"));
ASSERT_THAT(variable->retrieve("latconst"), StrEq("3.234055244384789 5.167650199630013"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal");
command("clear");
command("kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal");
squery = "kim query alpha get_linear_thermal_expansion_coefficient_cubic ";
squery += "crystal=[fcc] species=[Al] units=[1/K] temperature=[293.15] ";
squery += "temperature_units=[K]";
lmp->input->one(squery);
command("kim query alpha get_linear_thermal_expansion_coefficient_cubic "
"crystal=[fcc] species=[Al] units=[1/K] temperature=[293.15] "
"temperature_units=[K]");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_TRUE((std::string(lmp->input->variable->retrieve("alpha")) ==
"1.654960564704273e-05"));
ASSERT_THAT(variable->retrieve("alpha"), StrEq("1.654960564704273e-05"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
command("clear");
squery = "kim query model_list list get_available_models ";
squery += "species=[Al]";
lmp->input->one(squery);
command("kim query model_list list get_available_models species=[Al]");
if (!verbose) ::testing::internal::GetCapturedStdout();
std::string model_list = lmp->input->variable->retrieve("model_list");
std::string model_list = variable->retrieve("model_list");
auto n = model_list.find("EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005");
ASSERT_TRUE(n != std::string::npos);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
command("clear");
squery = "kim query model_name index get_available_models ";
squery += "species=[Al]";
lmp->input->one(squery);
lmp->input->one("variable model_name delete");
command("kim query model_name index get_available_models species=[Al]");
command("variable model_name delete");
if (!verbose) ::testing::internal::GetCapturedStdout();
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
command("clear");
squery = "kim query model_name index get_available_models ";
squery += "species=[Al] potential_type=[eam,meam]";
lmp->input->one(squery);
lmp->input->one("variable model_name delete");
command("kim query model_name index get_available_models "
"species=[Al] potential_type=[eam,meam]");
command("variable model_name delete");
squery = "kim query model_name index get_available_models ";
squery += "species=[Al] potential_type=[\"eam\",\"meam\"]";
lmp->input->one(squery);
lmp->input->one("variable model_name delete");
command("kim query model_name index get_available_models "
"species=[Al] potential_type=[\"eam\",\"meam\"]");
command("variable model_name delete");
squery = "kim query model_name index get_available_models ";
squery += "species=[Al] potential_type=[eam,\"meam\"]";
lmp->input->one(squery);
lmp->input->one("variable model_name delete");
command("kim query model_name index get_available_models "
"species=[Al] potential_type=[eam,\"meam\"]");
command("variable model_name delete");
squery = "kim query model_name index get_available_models ";
squery += "species=[Al] potential_type=[\"eam\",meam]";
lmp->input->one(squery);
lmp->input->one("variable model_name delete");
command("kim query model_name index get_available_models "
"species=[Al] potential_type=[\"eam\",meam]");
command("variable model_name delete");
if (!verbose) ::testing::internal::GetCapturedStdout();
#endif
}