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Merge branch 'reset-molecules' into write-bonus-data

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This commit is contained in:
Axel Kohlmeyer
2020-07-10 10:25:08 -04:00
parent 8102045fdb 0c89b517a5
commit df63d4147d
34 changed files with 1203 additions and 168 deletions
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6
unittest/formats/test_atom_styles.cpp
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@ -423,7 +423,7 @@ TEST_F(AtomStyleTest, atomic)
ASSERT_EQ(lmp->atom->map_user, 1);
ASSERT_EQ(lmp->atom->map_tag_max, 3);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("reset_ids");
lmp->input->one("reset_atom_ids");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->atom->map_tag_max, 2);
ASSERT_EQ(lmp->atom->tag_consecutive(), 1);
@ -810,7 +810,7 @@ TEST_F(AtomStyleTest, charge)
ASSERT_EQ(lmp->atom->mass_setflag[2], 1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("reset_ids");
lmp->input->one("reset_atom_ids");
lmp->input->one("replicate 2 2 2");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->atom->map_tag_max, 16);
@ -1137,7 +1137,7 @@ TEST_F(AtomStyleTest, sphere)
EXPECT_THAT(std::string(lmp->atom->atom_style), Eq("atomic"));
lmp->input->one("read_restart test_atom_styles.restart");
lmp->input->one("replicate 1 1 2");
lmp->input->one("reset_ids");
lmp->input->one("reset_atom_ids");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("sphere"));
ASSERT_NE(lmp->atom->avec, nullptr);