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Update pair gw zbl

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This commit is contained in:
Richard Berger
2020-05-28 15:56:36 -04:00
parent 607581e7f3
commit e206647717
3 changed files with 92 additions and 122 deletions
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11
unittest/formats/test_potential_file_reader.cpp
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@ -11,6 +11,7 @@
#include "MANYBODY/pair_tersoff_mod_c.h"
#include "MANYBODY/pair_tersoff_zbl.h"
#include "MANYBODY/pair_gw.h"
#include "MANYBODY/pair_gw_zbl.h"
#include <mpi.h>
@ -24,6 +25,7 @@ const int LAMMPS_NS::PairTersoffMOD::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffMODC::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffZBL::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairGW::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairGWZBL::NPARAMS_PER_LINE;
class PotenialFileReaderTest : public ::testing::Test {
protected:
@ -117,6 +119,15 @@ TEST_F(PotenialFileReaderTest, GW) {
ASSERT_EQ(utils::count_words(line), PairGW::NPARAMS_PER_LINE);
}
TEST_F(PotenialFileReaderTest, GWZBL) {
::testing::internal::CaptureStdout();
PotentialFileReader reader(lmp, "SiC.gw.zbl", "GWZBL");
::testing::internal::GetCapturedStdout();
auto line = reader.next_line(PairGWZBL::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairGWZBL::NPARAMS_PER_LINE);
}
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);