ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Add Tersoff potential file read test

Browse Source
This commit is contained in:
Richard Berger
2020-05-27 13:13:50 -04:00
parent 68e2c0bca8
commit 507064d45d
2 changed files with 10 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
unittest/formats/test_potential_file_reader.cpp
View File

@ -6,6 +6,7 @@
#include "MANYBODY/pair_sw.h"
#include "MANYBODY/pair_comb.h"
#include "MANYBODY/pair_comb3.h"
#include "MANYBODY/pair_tersoff.h"
#include <mpi.h>
@ -14,6 +15,7 @@ using namespace LAMMPS_NS;
const int LAMMPS_NS::PairSW::Param::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairComb::Param::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairComb3::Param::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoff::Param::NPARAMS_PER_LINE;
class PotenialFileReaderTest : public ::testing::Test {
protected:
@ -49,6 +51,12 @@ TEST_F(PotenialFileReaderTest, Comb3) {
ASSERT_EQ(utils::count_words(line), PairComb3::Param::NPARAMS_PER_LINE);
}
TEST_F(PotenialFileReaderTest, Tersoff) {
PotentialFileReader reader(lmp, "Si.tersoff", "Tersoff");
auto line = reader.next_line(PairTersoff::Param::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoff::Param::NPARAMS_PER_LINE);
}
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);