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Update pair gw

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This commit is contained in:
Richard Berger
2020-05-28 15:44:53 -04:00
parent 7d61fbc68b
commit 2632d30970
3 changed files with 84 additions and 114 deletions
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11
unittest/formats/test_potential_file_reader.cpp
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@ -10,6 +10,7 @@
#include "MANYBODY/pair_tersoff_mod.h"
#include "MANYBODY/pair_tersoff_mod_c.h"
#include "MANYBODY/pair_tersoff_zbl.h"
#include "MANYBODY/pair_gw.h"
#include <mpi.h>
@ -22,6 +23,7 @@ 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;
const int LAMMPS_NS::PairGW::NPARAMS_PER_LINE;
class PotenialFileReaderTest : public ::testing::Test {
protected:
@ -106,6 +108,15 @@ TEST_F(PotenialFileReaderTest, TersoffZBL) {
ASSERT_EQ(utils::count_words(line), PairTersoffZBL::NPARAMS_PER_LINE);
}
TEST_F(PotenialFileReaderTest, GW) {
::testing::internal::CaptureStdout();
PotentialFileReader reader(lmp, "SiC.gw", "GW");
::testing::internal::GetCapturedStdout();
auto line = reader.next_line(PairGW::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairGW::NPARAMS_PER_LINE);
}
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);