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Update pair tersoff zbl

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This commit is contained in:
Richard Berger
2020-05-28 10:36:20 -04:00
parent c0324e55ad
commit f5d8417d96
3 changed files with 100 additions and 130 deletions
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11
unittest/formats/test_potential_file_reader.cpp
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@ -9,6 +9,7 @@
#include "MANYBODY/pair_tersoff.h"
#include "MANYBODY/pair_tersoff_mod.h"
#include "MANYBODY/pair_tersoff_mod_c.h"
#include "MANYBODY/pair_tersoff_zbl.h"
#include <mpi.h>
@ -20,6 +21,7 @@ const int LAMMPS_NS::PairComb3::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoff::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffMOD::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffMODC::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffZBL::NPARAMS_PER_LINE;
class PotenialFileReaderTest : public ::testing::Test {
protected:
@ -95,6 +97,15 @@ TEST_F(PotenialFileReaderTest, TersoffModC) {
ASSERT_EQ(utils::count_words(line), PairTersoffMODC::NPARAMS_PER_LINE);
}
TEST_F(PotenialFileReaderTest, TersoffZBL) {
::testing::internal::CaptureStdout();
PotentialFileReader reader(lmp, "SiC.tersoff.zbl", "Tersoff");
::testing::internal::GetCapturedStdout();
auto line = reader.next_line(PairTersoffZBL::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffZBL::NPARAMS_PER_LINE);
}
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);