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test velocity command

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This commit is contained in:
Axel Kohlmeyer
2025-07-16 14:17:32 -04:00
parent 13d3cfa2b6
commit ab6de4c384
1 changed files with 44 additions and 0 deletions
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44
unittest/commands/test_set_property.cpp
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@ -106,6 +106,50 @@ TEST_F(SetTest, NoBoxNoAtoms)
command("compute 1 all property/atom mol"););
}
TEST_F(SetTest, velocity)
{
atomic_system("atomic", "real");
ASSERT_EQ(atom->natoms, 8);
BEGIN_HIDE_OUTPUT();
command("velocity all create 200 123513 loop geom");
command("run 0 post no");
END_HIDE_OUTPUT();
auto *temp = lmp->modify->get_compute_by_id("thermo_temp");
EXPECT_DOUBLE_EQ(temp->compute_scalar(), 200.0);
BEGIN_HIDE_OUTPUT();
command("velocity all scale 300.0");
command("run 0 post no");
END_HIDE_OUTPUT();
EXPECT_DOUBLE_EQ(temp->compute_scalar(), 300.0);
BEGIN_HIDE_OUTPUT();
command("velocity all set 0.0 0.0 0.0");
command("run 0 post no");
END_HIDE_OUTPUT();
EXPECT_DOUBLE_EQ(temp->compute_scalar(), 0.0);
BEGIN_HIDE_OUTPUT();
command("velocity all ramp vx 0.01 0.2 x 0.0 2.0");
command("run 0 post no");
END_HIDE_OUTPUT();
EXPECT_DOUBLE_EQ(temp->compute_scalar(), 3238.9377014185811);
BEGIN_HIDE_OUTPUT();
command("velocity all zero linear");
command("run 0 post no");
END_HIDE_OUTPUT();
EXPECT_DOUBLE_EQ(temp->compute_scalar(), 1033.7682579098041);
BEGIN_HIDE_OUTPUT();
command("velocity top set -0.01 0.0 0.0 sum yes");
command("velocity bottom set 0.01 0.0 0.0 sum yes");
command("run 0 post no");
END_HIDE_OUTPUT();
EXPECT_DOUBLE_EQ(temp->compute_scalar(), 1079.5862416398786);
BEGIN_HIDE_OUTPUT();
command("velocity all zero angular");
command("run 0 post no");
END_HIDE_OUTPUT();
EXPECT_DOUBLE_EQ(temp->compute_scalar(), 1056.6772497748414);
}
TEST_F(SetTest, StylesTypes)
{
if (!Info::has_package("MOLECULE")) GTEST_SKIP();