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Cleanup

This commit is contained in:
Richard Berger 2020-05-20 02:03:00 -04:00
parent 46e0c8b6b7
commit 34456294dd
No known key found for this signature in database
GPG Key ID: A9E83994E0BA0CAB
3 changed files with 73 additions and 71 deletions
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36
unittest/force-styles/angle_style.cpp
View File

@ -49,7 +49,9 @@
using ::testing::StartsWith;
using ::testing::HasSubstr;
void cleanup_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
using namespace LAMMPS_NS;
void cleanup_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
std::string name;
@ -62,16 +64,16 @@ void cleanup_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
delete lmp;
}
LAMMPS_NS::LAMMPS *init_lammps(int argc, char **argv,
LAMMPS *init_lammps(int argc, char **argv,
const TestConfig &cfg,
const bool newton=true)
{
LAMMPS_NS::LAMMPS *lmp;
LAMMPS *lmp;
lmp = new LAMMPS_NS::LAMMPS(argc, argv, MPI_COMM_WORLD);
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
// check if prerequisite styles are available
LAMMPS_NS::Info *info = new LAMMPS_NS::Info(lmp);
Info *info = new Info(lmp);
int nfail = 0;
for (auto prerequisite : cfg.prerequisites) {
std::string style = prerequisite.second;
@ -128,7 +130,7 @@ LAMMPS_NS::LAMMPS *init_lammps(int argc, char **argv,
return lmp;
}
void run_lammps(LAMMPS_NS::LAMMPS *lmp)
void run_lammps(LAMMPS *lmp)
{
lmp->input->one("fix 1 all nve");
lmp->input->one("compute pe all pe/atom");
@ -138,7 +140,7 @@ void run_lammps(LAMMPS_NS::LAMMPS *lmp)
lmp->input->one("run 4 post no");
}
void restart_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
void restart_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
lmp->input->one("clear");
std::string cmd("read_restart ");
@ -161,7 +163,7 @@ void restart_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
lmp->input->one("run 0 post no");
}
void data_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
void data_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
lmp->input->one("clear");
lmp->input->one("variable angle_style delete");
@ -201,7 +203,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
const char *args[] = {"AngleStyle", "-log", "none", "-echo", "screen", "-nocite" };
char **argv = (char **)args;
int argc = sizeof(args)/sizeof(char *);
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,config);
LAMMPS *lmp = init_lammps(argc,argv,config);
if (!lmp) {
std::cerr << "One or more prerequisite styles are not available "
"in this LAMMPS configuration:\n";
@ -288,7 +290,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
// init_forces
block.clear();
double **f = lmp->atom->f;
LAMMPS_NS::tagint *tag = lmp->atom->tag;
tagint *tag = lmp->atom->tag;
for (int i=0; i < natoms; ++i) {
snprintf(buf,bufsize,"% 3d % 23.16e % 23.16e % 23.16e\n",
(int)tag[i], f[i][0], f[i][1], f[i][2]);
@ -328,7 +330,7 @@ TEST(AngleStyle, plain) {
int argc = sizeof(args)/sizeof(char *);
::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
std::string output = ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -350,7 +352,7 @@ TEST(AngleStyle, plain) {
double epsilon = test_config.epsilon;
double **f=lmp->atom->f;
LAMMPS_NS::tagint *tag=lmp->atom->tag;
tagint *tag=lmp->atom->tag;
ErrorStats stats;
stats.reset();
const std::vector<coord_t> &f_ref = test_config.init_forces;
@ -363,7 +365,7 @@ TEST(AngleStyle, plain) {
if (print_stats)
std::cerr << "init_forces stats, newton on: " << stats << std::endl;
LAMMPS_NS::Angle *angle = lmp->force->angle;
Angle *angle = lmp->force->angle;
double *stress = angle->virial;
stats.reset();
EXPECT_FP_LE_WITH_EPS(stress[0], test_config.init_stress.xx, epsilon);
@ -555,14 +557,14 @@ TEST(AngleStyle, plain) {
};
TEST(AngleStyle, omp) {
if (!LAMMPS_NS::LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
if (!LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
const char *args[] = {"AngleStyle", "-log", "none", "-echo", "screen",
"-nocite", "-pk", "omp", "4", "-sf", "omp"};
char **argv = (char **)args;
int argc = sizeof(args)/sizeof(char *);
::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
std::string output = ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -585,7 +587,7 @@ TEST(AngleStyle, omp) {
// relax error a bit for USER-OMP package
double epsilon = 5.0*test_config.epsilon;
double **f=lmp->atom->f;
LAMMPS_NS::tagint *tag=lmp->atom->tag;
tagint *tag=lmp->atom->tag;
const std::vector<coord_t> &f_ref = test_config.init_forces;
ErrorStats stats;
stats.reset();
@ -597,7 +599,7 @@ TEST(AngleStyle, omp) {
if (print_stats)
std::cerr << "init_forces stats, newton on: " << stats << std::endl;
LAMMPS_NS::Angle *angle = lmp->force->angle;
Angle *angle = lmp->force->angle;
double *stress = angle->virial;
stats.reset();

43
unittest/force-styles/bond_style.cpp
View File

@ -49,8 +49,9 @@
using ::testing::StartsWith;
using ::testing::HasSubstr;
using namespace LAMMPS_NS;
void cleanup_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
void cleanup_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
std::string name;
@ -63,16 +64,16 @@ void cleanup_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
delete lmp;
}
LAMMPS_NS::LAMMPS *init_lammps(int argc, char **argv,
LAMMPS *init_lammps(int argc, char **argv,
const TestConfig &cfg,
const bool newton=true)
{
LAMMPS_NS::LAMMPS *lmp;
LAMMPS *lmp;
lmp = new LAMMPS_NS::LAMMPS(argc, argv, MPI_COMM_WORLD);
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
// check if prerequisite styles are available
LAMMPS_NS::Info *info = new LAMMPS_NS::Info(lmp);
Info *info = new Info(lmp);
int nfail = 0;
for (auto prerequisite : cfg.prerequisites) {
std::string style = prerequisite.second;
@ -130,7 +131,7 @@ LAMMPS_NS::LAMMPS *init_lammps(int argc, char **argv,
return lmp;
}
void run_lammps(LAMMPS_NS::LAMMPS *lmp)
void run_lammps(LAMMPS *lmp)
{
lmp->input->one("fix 1 all nve");
lmp->input->one("compute pe all pe/atom");
@ -140,7 +141,7 @@ void run_lammps(LAMMPS_NS::LAMMPS *lmp)
lmp->input->one("run 4 post no");
}
void restart_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
void restart_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
lmp->input->one("clear");
std::string cmd("read_restart ");
@ -163,7 +164,7 @@ void restart_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
lmp->input->one("run 0 post no");
}
void data_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
void data_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
lmp->input->one("clear");
lmp->input->one("variable bond_style delete");
@ -202,7 +203,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
const char *args[] = {"BondStyle", "-log", "none", "-echo", "screen", "-nocite" };
char **argv = (char **)args;
int argc = sizeof(args)/sizeof(char *);
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,config);
LAMMPS *lmp = init_lammps(argc,argv,config);
if (!lmp) {
std::cerr << "One or more prerequisite styles are not available "
"in this LAMMPS configuration:\n";
@ -289,7 +290,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
// init_forces
block.clear();
double **f = lmp->atom->f;
LAMMPS_NS::tagint *tag = lmp->atom->tag;
tagint *tag = lmp->atom->tag;
for (int i=0; i < natoms; ++i) {
snprintf(buf,bufsize,"% 3d % 23.16e % 23.16e % 23.16e\n",
(int)tag[i], f[i][0], f[i][1], f[i][2]);
@ -329,7 +330,7 @@ TEST(BondStyle, plain) {
int argc = sizeof(args)/sizeof(char *);
::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
std::string output = ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -351,7 +352,7 @@ TEST(BondStyle, plain) {
double epsilon = test_config.epsilon;
double **f=lmp->atom->f;
LAMMPS_NS::tagint *tag=lmp->atom->tag;
tagint *tag=lmp->atom->tag;
ErrorStats stats;
stats.reset();
const std::vector<coord_t> &f_ref = test_config.init_forces;
@ -364,7 +365,7 @@ TEST(BondStyle, plain) {
if (print_stats)
std::cerr << "init_forces stats, newton on: " << stats << std::endl;
LAMMPS_NS::Bond *bond = lmp->force->bond;
Bond *bond = lmp->force->bond;
double *stress = bond->virial;
stats.reset();
EXPECT_FP_LE_WITH_EPS(stress[0], test_config.init_stress.xx, epsilon);
@ -556,14 +557,14 @@ TEST(BondStyle, plain) {
};
TEST(BondStyle, omp) {
if (!LAMMPS_NS::LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
if (!LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
const char *args[] = {"BondStyle", "-log", "none", "-echo", "screen",
"-nocite", "-pk", "omp", "4", "-sf", "omp"};
char **argv = (char **)args;
int argc = sizeof(args)/sizeof(char *);
::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
std::string output = ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -586,7 +587,7 @@ TEST(BondStyle, omp) {
// relax error a bit for USER-OMP package
double epsilon = 5.0*test_config.epsilon;
double **f=lmp->atom->f;
LAMMPS_NS::tagint *tag=lmp->atom->tag;
tagint *tag=lmp->atom->tag;
const std::vector<coord_t> &f_ref = test_config.init_forces;
ErrorStats stats;
stats.reset();
@ -598,7 +599,7 @@ TEST(BondStyle, omp) {
if (print_stats)
std::cerr << "init_forces stats, newton on: " << stats << std::endl;
LAMMPS_NS::Bond *bond = lmp->force->bond;
Bond *bond = lmp->force->bond;
double *stress = bond->virial;
stats.reset();
@ -736,7 +737,7 @@ TEST(BondStyle, single) {
// create a LAMMPS instance with standard settings to detect the number of atom types
if (!verbose) ::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config);
LAMMPS *lmp = init_lammps(argc,argv,test_config);
if (!verbose) ::testing::internal::GetCapturedStdout();
if (!lmp) {
std::cerr << "One or more prerequisite styles are not available "
@ -760,7 +761,7 @@ TEST(BondStyle, single) {
GTEST_SKIP();
}
LAMMPS_NS::Bond *bond = lmp->force->bond;
Bond *bond = lmp->force->bond;
// now start over
if (!verbose) ::testing::internal::CaptureStdout();
@ -990,7 +991,7 @@ TEST(BondStyle, extract) {
int argc = sizeof(args)/sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
if (!verbose) ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -1002,7 +1003,7 @@ TEST(BondStyle, extract) {
}
GTEST_SKIP();
}
LAMMPS_NS::Bond *bond = lmp->force->bond;
Bond *bond = lmp->force->bond;
void *ptr = nullptr;
int dim = 0;
for (auto extract : test_config.extract) {

65
unittest/force-styles/pair_style.cpp
View File

@ -49,7 +49,9 @@
using ::testing::StartsWith;
using ::testing::HasSubstr;
void cleanup_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
using namespace LAMMPS_NS;
void cleanup_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
std::string name;
@ -62,16 +64,16 @@ void cleanup_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
delete lmp;
}
LAMMPS_NS::LAMMPS *init_lammps(int argc, char **argv,
LAMMPS *init_lammps(int argc, char **argv,
const TestConfig &cfg,
const bool newton=true)
{
LAMMPS_NS::LAMMPS *lmp;
LAMMPS *lmp;
lmp = new LAMMPS_NS::LAMMPS(argc, argv, MPI_COMM_WORLD);
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
// check if prerequisite styles are available
LAMMPS_NS::Info *info = new LAMMPS_NS::Info(lmp);
Info *info = new Info(lmp);
int nfail = 0;
for (auto prerequisite : cfg.prerequisites) {
std::string style = prerequisite.second;
@ -90,7 +92,7 @@ LAMMPS_NS::LAMMPS *init_lammps(int argc, char **argv,
if (nfail > 0) {
delete info;
cleanup_lammps(lmp,cfg);
return NULL;
return nullptr;
}
if (newton) {
@ -128,7 +130,7 @@ LAMMPS_NS::LAMMPS *init_lammps(int argc, char **argv,
return lmp;
}
void run_lammps(LAMMPS_NS::LAMMPS *lmp)
void run_lammps(LAMMPS *lmp)
{
lmp->input->one("fix 1 all nve");
lmp->input->one("compute pe all pe/atom");
@ -138,7 +140,7 @@ void run_lammps(LAMMPS_NS::LAMMPS *lmp)
lmp->input->one("run 4 post no");
}
void restart_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
void restart_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
lmp->input->one("clear");
std::string cmd("read_restart ");
@ -161,7 +163,7 @@ void restart_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
lmp->input->one("run 0 post no");
}
void data_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
void data_lammps(LAMMPS *lmp, const TestConfig &cfg)
{
lmp->input->one("clear");
lmp->input->one("variable pair_style delete");
@ -192,9 +194,6 @@ void data_lammps(LAMMPS_NS::LAMMPS *lmp, const TestConfig &cfg)
lmp->input->one("run 0 post no");
}
// read/parse yaml file
// re-generate yaml file with current settings.
void generate_yaml_file(const char *outfile, const TestConfig &config)
@ -203,7 +202,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
const char *args[] = {"PairStyle", "-log", "none", "-echo", "screen", "-nocite" };
char **argv = (char **)args;
int argc = sizeof(args)/sizeof(char *);
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,config);
LAMMPS *lmp = init_lammps(argc,argv,config);
if (!lmp) {
std::cerr << "One or more prerequisite styles are not available "
"in this LAMMPS configuration:\n";
@ -293,7 +292,7 @@ void generate_yaml_file(const char *outfile, const TestConfig &config)
// init_forces
block.clear();
double **f = lmp->atom->f;
LAMMPS_NS::tagint *tag = lmp->atom->tag;
tagint *tag = lmp->atom->tag;
for (int i=0; i < natoms; ++i) {
snprintf(buf,bufsize,"% 3d % 23.16e % 23.16e % 23.16e\n",
(int)tag[i], f[i][0], f[i][1], f[i][2]);
@ -336,7 +335,7 @@ TEST(PairStyle, plain) {
int argc = sizeof(args)/sizeof(char *);
::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
std::string output = ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -358,7 +357,7 @@ TEST(PairStyle, plain) {
double epsilon = test_config.epsilon;
double **f=lmp->atom->f;
LAMMPS_NS::tagint *tag=lmp->atom->tag;
tagint *tag=lmp->atom->tag;
ErrorStats stats;
stats.reset();
const std::vector<coord_t> &f_ref = test_config.init_forces;
@ -371,7 +370,7 @@ TEST(PairStyle, plain) {
if (print_stats)
std::cerr << "init_forces stats, newton on: " << stats << std::endl;
LAMMPS_NS::Pair *pair = lmp->force->pair;
Pair *pair = lmp->force->pair;
double *stress = pair->virial;
stats.reset();
EXPECT_FP_LE_WITH_EPS(stress[0], test_config.init_stress.xx, epsilon);
@ -569,14 +568,14 @@ TEST(PairStyle, plain) {
};
TEST(PairStyle, omp) {
if (!LAMMPS_NS::LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
if (!LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
const char *args[] = {"PairStyle", "-log", "none", "-echo", "screen",
"-nocite", "-pk", "omp", "4", "-sf", "omp"};
char **argv = (char **)args;
int argc = sizeof(args)/sizeof(char *);
::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
std::string output = ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -599,7 +598,7 @@ TEST(PairStyle, omp) {
// relax error a bit for USER-OMP package
double epsilon = 5.0*test_config.epsilon;
double **f=lmp->atom->f;
LAMMPS_NS::tagint *tag=lmp->atom->tag;
tagint *tag=lmp->atom->tag;
const std::vector<coord_t> &f_ref = test_config.init_forces;
ErrorStats stats;
stats.reset();
@ -611,7 +610,7 @@ TEST(PairStyle, omp) {
if (print_stats)
std::cerr << "init_forces stats, newton on: " << stats << std::endl;
LAMMPS_NS::Pair *pair = lmp->force->pair;
Pair *pair = lmp->force->pair;
double *stress = pair->virial;
stats.reset();
EXPECT_FP_LE_WITH_EPS(stress[0], test_config.init_stress.xx, 10*epsilon);
@ -740,7 +739,7 @@ TEST(PairStyle, omp) {
};
TEST(PairStyle, intel) {
if (!LAMMPS_NS::LAMMPS::is_installed_pkg("USER-INTEL")) GTEST_SKIP();
if (!LAMMPS::is_installed_pkg("USER-INTEL")) GTEST_SKIP();
const char *args[] = {"PairStyle", "-log", "none", "-echo", "screen",
"-nocite", "-pk", "intel", "0", "mode", "double",
"omp", "4", "lrt", "no", "-sf", "intel"};
@ -748,7 +747,7 @@ TEST(PairStyle, intel) {
int argc = sizeof(args)/sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config);
LAMMPS *lmp = init_lammps(argc,argv,test_config);
std::string output;
if (!verbose) output = ::testing::internal::GetCapturedStdout();
@ -782,7 +781,7 @@ TEST(PairStyle, intel) {
ASSERT_EQ(lmp->atom->natoms,nlocal);
double **f=lmp->atom->f;
LAMMPS_NS::tagint *tag=lmp->atom->tag;
tagint *tag=lmp->atom->tag;
const std::vector<coord_t> &f_ref = test_config.init_forces;
ErrorStats stats;
stats.reset();
@ -794,7 +793,7 @@ TEST(PairStyle, intel) {
if (print_stats)
std::cerr << "init_forces stats:" << stats << std::endl;
LAMMPS_NS::Pair *pair = lmp->force->pair;
Pair *pair = lmp->force->pair;
double *stress = pair->virial;
stats.reset();
EXPECT_FP_LE_WITH_EPS(stress[0], test_config.init_stress.xx, 10*epsilon);
@ -855,14 +854,14 @@ TEST(PairStyle, intel) {
};
TEST(PairStyle, opt) {
if (!LAMMPS_NS::LAMMPS::is_installed_pkg("OPT")) GTEST_SKIP();
if (!LAMMPS::is_installed_pkg("OPT")) GTEST_SKIP();
const char *args[] = {"PairStyle", "-log", "none", "-echo", "screen",
"-nocite", "-sf", "opt"};
char **argv = (char **)args;
int argc = sizeof(args)/sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config);
LAMMPS *lmp = init_lammps(argc,argv,test_config);
std::string output;
if (!verbose) output = ::testing::internal::GetCapturedStdout();
@ -886,7 +885,7 @@ TEST(PairStyle, opt) {
// relax error a bit for OPT package
double epsilon = 2.0*test_config.epsilon;
double **f=lmp->atom->f;
LAMMPS_NS::tagint *tag=lmp->atom->tag;
tagint *tag=lmp->atom->tag;
const std::vector<coord_t> &f_ref = test_config.init_forces;
ErrorStats stats;
stats.reset();
@ -898,7 +897,7 @@ TEST(PairStyle, opt) {
if (print_stats)
std::cerr << "init_forces stats:" << stats << std::endl;
LAMMPS_NS::Pair *pair = lmp->force->pair;
Pair *pair = lmp->force->pair;
double *stress = pair->virial;
stats.reset();
EXPECT_FP_LE_WITH_EPS(stress[0], test_config.init_stress.xx, 10*epsilon);
@ -965,7 +964,7 @@ TEST(PairStyle, single) {
// create a LAMMPS instance with standard settings to detect the number of atom types
if (!verbose) ::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config);
LAMMPS *lmp = init_lammps(argc,argv,test_config);
if (!verbose) ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -989,7 +988,7 @@ TEST(PairStyle, single) {
GTEST_SKIP();
}
LAMMPS_NS::Pair *pair = lmp->force->pair;
Pair *pair = lmp->force->pair;
if (!pair->single_enable) {
std::cerr << "Single method not available for pair style "
<< test_config.pair_style << std::endl;
@ -1187,7 +1186,7 @@ TEST(PairStyle, extract) {
int argc = sizeof(args)/sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout();
LAMMPS_NS::LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
LAMMPS *lmp = init_lammps(argc,argv,test_config,true);
if (!verbose) ::testing::internal::GetCapturedStdout();
if (!lmp) {
@ -1199,7 +1198,7 @@ TEST(PairStyle, extract) {
}
GTEST_SKIP();
}
LAMMPS_NS::Pair *pair = lmp->force->pair;
Pair *pair = lmp->force->pair;
void *ptr = nullptr;
int dim = 0;
for (auto extract : test_config.extract) {