From 34456294ddeec4eac3eb81620f329e3d0d22fbc2 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Wed, 20 May 2020 02:03:00 -0400 Subject: [PATCH] Cleanup --- unittest/force-styles/angle_style.cpp | 36 ++++++++------- unittest/force-styles/bond_style.cpp | 43 +++++++++--------- unittest/force-styles/pair_style.cpp | 65 +++++++++++++-------------- 3 files changed, 73 insertions(+), 71 deletions(-) diff --git a/unittest/force-styles/angle_style.cpp b/unittest/force-styles/angle_style.cpp index 51b51de1f6..d5e2059b2b 100644 --- a/unittest/force-styles/angle_style.cpp +++ b/unittest/force-styles/angle_style.cpp @@ -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 &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 &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(); diff --git a/unittest/force-styles/bond_style.cpp b/unittest/force-styles/bond_style.cpp index d0bf999173..07e3e28e1b 100644 --- a/unittest/force-styles/bond_style.cpp +++ b/unittest/force-styles/bond_style.cpp @@ -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 &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 &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) { diff --git a/unittest/force-styles/pair_style.cpp b/unittest/force-styles/pair_style.cpp index 3ead16f0c7..e1aa42879b 100644 --- a/unittest/force-styles/pair_style.cpp +++ b/unittest/force-styles/pair_style.cpp @@ -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 &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 &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 &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 &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) {