small tweaks
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@ -245,7 +245,7 @@ TEST_F(GroupTest, Molecular)
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ASSERT_EQ(group->count(group->find("three")), 15);
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ASSERT_EQ(group->count(group->find("three")), 15);
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ASSERT_DOUBLE_EQ(group->mass(group->find("half")), 40);
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ASSERT_DOUBLE_EQ(group->mass(group->find("half")), 40);
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ASSERT_DOUBLE_EQ(group->mass(group->find("half"), domain->find_region("top")), 10);
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ASSERT_DOUBLE_EQ(group->mass(group->find("half"), domain->find_region("top")), 10);
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ASSERT_DOUBLE_EQ(group->charge(group->find("top")), 0);
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ASSERT_NEAR(group->charge(group->find("top")), 0,1.0e-14);
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ASSERT_DOUBLE_EQ(group->charge(group->find("right"), domain->find_region("top")), 0);
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ASSERT_DOUBLE_EQ(group->charge(group->find("right"), domain->find_region("top")), 0);
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TEST_FAILURE(".*ERROR: Illegal group command.*", command("group three include xxx"););
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TEST_FAILURE(".*ERROR: Illegal group command.*", command("group three include xxx"););
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@ -1,7 +1,7 @@
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---
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---
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lammps_version: 10 Mar 2021
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lammps_version: 10 Mar 2021
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date_generated: Thu Mar 25 14:01:17 202
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date_generated: Thu Mar 25 14:01:17 202
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epsilon: 1e-14
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epsilon: 2e-14
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prerequisites: ! |
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prerequisites: ! |
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atom full
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atom full
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fix adapt
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fix adapt
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