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fix bug in tester for atom style tri

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This commit is contained in:
Axel Kohlmeyer
2020-07-13 21:49:18 -04:00
parent 5a73b1de98
commit ea1d447703
1 changed files with 13 additions and 12 deletions
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25
unittest/formats/test_atom_styles.cpp
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@ -2382,14 +2382,14 @@ TEST_F(AtomStyleTest, tri)
ASSERT_EQ(lmp->atom->map_user, 1); ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 6); ASSERT_EQ(lmp->atom->map_tag_max, 6);
auto x = lmp->atom->x; auto x = lmp->atom->x;
auto v = lmp->atom->v; auto v = lmp->atom->v;
auto type = lmp->atom->type; auto type = lmp->atom->type;
auto tri = lmp->atom->tri; auto tri = lmp->atom->tri;
auto rmass = lmp->atom->rmass; auto rmass = lmp->atom->rmass;
auto radius = lmp->atom->radius; auto radius = lmp->atom->radius;
auto avec = (AtomVecTri *)lmp->atom->avec; auto avec = (AtomVecTri *)lmp->atom->avec;
auto bonus = avec->bonus; auto bonus = avec->bonus;
ASSERT_DOUBLE_EQ(x[GETIDX(1)][0], -2.0); ASSERT_DOUBLE_EQ(x[GETIDX(1)][0], -2.0);
ASSERT_DOUBLE_EQ(x[GETIDX(1)][1], 2.0); ASSERT_DOUBLE_EQ(x[GETIDX(1)][1], 2.0);
ASSERT_DOUBLE_EQ(x[GETIDX(1)][2], 0.1); ASSERT_DOUBLE_EQ(x[GETIDX(1)][2], 0.1);
@ -2537,11 +2537,12 @@ TEST_F(AtomStyleTest, tri)
ASSERT_EQ(lmp->atom->tag_consecutive(), 0); ASSERT_EQ(lmp->atom->tag_consecutive(), 0);
ASSERT_EQ(lmp->atom->map_tag_max, 12); ASSERT_EQ(lmp->atom->map_tag_max, 12);
type = lmp->atom->type; type = lmp->atom->type;
tri = lmp->atom->tri; tri = lmp->atom->tri;
rmass = lmp->atom->rmass; rmass = lmp->atom->rmass;
avec = (AtomVecTri *)lmp->atom->avec; radius = lmp->atom->radius;
bonus = avec->bonus; avec = (AtomVecTri *)lmp->atom->avec;
bonus = avec->bonus;
ASSERT_EQ(type[GETIDX(1)], 1); ASSERT_EQ(type[GETIDX(1)], 1);
ASSERT_EQ(type[GETIDX(3)], 2); ASSERT_EQ(type[GETIDX(3)], 2);
ASSERT_EQ(type[GETIDX(5)], 3); ASSERT_EQ(type[GETIDX(5)], 3);