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nb3b/harmonic parameters are in real units

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This commit is contained in:
Axel Kohlmeyer
2020-06-29 13:24:13 -04:00
parent 3eda735d29
commit 5c08ce0818
2 changed files with 111 additions and 108 deletions
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2
unittest/formats/test_potential_file_reader.cpp
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@ -189,7 +189,7 @@ TEST_F(PotentialFileReaderTest, GWZBL)
TEST_F(PotentialFileReaderTest, Nb3bHarmonic)
{
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("units metal");
lmp->input->one("units real");
PotentialFileReader reader(lmp, "MOH.nb3b.harmonic", "NB3B Harmonic");
if (!verbose) ::testing::internal::GetCapturedStdout();