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need to re-initialize lattice variable after new lattice command

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This commit is contained in:
Axel Kohlmeyer
2020-08-21 01:01:12 -04:00
parent 4c46119a48
commit 19c1fa8c94
1 changed files with 2 additions and 0 deletions
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2
unittest/commands/test_lattice_region.cpp
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@ -105,6 +105,7 @@ TEST_F(LatticeRegionTest, lattice_none)
lmp->input->one("units lj"); lmp->input->one("units lj");
lmp->input->one("lattice none 1.0"); lmp->input->one("lattice none 1.0");
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
lattice = lmp->domain->lattice;
ASSERT_EQ(lattice->xlattice, 1.0); ASSERT_EQ(lattice->xlattice, 1.0);
ASSERT_EQ(lattice->ylattice, 1.0); ASSERT_EQ(lattice->ylattice, 1.0);
ASSERT_EQ(lattice->zlattice, 1.0); ASSERT_EQ(lattice->zlattice, 1.0);
@ -170,6 +171,7 @@ TEST_F(LatticeRegionTest, lattice_sc)
lmp->input->one("units lj"); lmp->input->one("units lj");
lmp->input->one("lattice sc 2.0"); lmp->input->one("lattice sc 2.0");
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
lattice = lmp->domain->lattice;
ASSERT_DOUBLE_EQ(lattice->xlattice, pow(0.5, 1.0 / 3.0)); ASSERT_DOUBLE_EQ(lattice->xlattice, pow(0.5, 1.0 / 3.0));
ASSERT_DOUBLE_EQ(lattice->ylattice, pow(0.5, 1.0 / 3.0)); ASSERT_DOUBLE_EQ(lattice->ylattice, pow(0.5, 1.0 / 3.0));
ASSERT_DOUBLE_EQ(lattice->zlattice, pow(0.5, 1.0 / 3.0)); ASSERT_DOUBLE_EQ(lattice->zlattice, pow(0.5, 1.0 / 3.0));