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modernize and reformat with clang-tidy and clang-format

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This commit is contained in:
Axel Kohlmeyer
2024-07-04 11:17:54 -04:00
parent cefe76919c
commit da2bd44b73
55 changed files with 980 additions and 971 deletions
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28
unittest/c-library/test_library_mpi.cpp
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@ -97,8 +97,8 @@ TEST(MPI, sub_box)
EXPECT_EQ(boxhi[1], 2.0);
EXPECT_EQ(boxhi[2], 2.0);
double *sublo = (double *)lammps_extract_global(lmp, "sublo");
double *subhi = (double *)lammps_extract_global(lmp, "subhi");
auto *sublo = (double *)lammps_extract_global(lmp, "sublo");
auto *subhi = (double *)lammps_extract_global(lmp, "subhi");
ASSERT_NE(sublo, nullptr);
ASSERT_NE(subhi, nullptr);
@ -172,8 +172,8 @@ TEST(MPI, multi_partition)
MPI_Comm_size(MPI_COMM_WORLD, &nprocs);
MPI_Comm_rank(MPI_COMM_WORLD, &me);
const char *args[] = {"LAMMPS_test", "-log", "none", "-partition", "4x1",
"-echo", "screen", "-nocite", "-in", "none", nullptr};
const char *args[] = {"LAMMPS_test", "-log", "none", "-partition", "4x1", "-echo",
"screen", "-nocite", "-in", "none", nullptr};
char **argv = (char **)args;
int argc = (sizeof(args) / sizeof(char *)) - 1;
void *lmp = lammps_open(argc, argv, MPI_COMM_WORLD, nullptr);
@ -258,7 +258,7 @@ TEST_F(MPITest, size_rank)
TEST_F(MPITest, gather)
{
int64_t natoms = (int64_t)lammps_get_natoms(lmp);
auto natoms = (int64_t)lammps_get_natoms(lmp);
ASSERT_EQ(natoms, 32);
int *p_nlocal = (int *)lammps_extract_global(lmp, "nlocal");
int nlocal = *p_nlocal;
@ -266,11 +266,11 @@ TEST_F(MPITest, gather)
EXPECT_EQ(nlocal, 8);
// get the entire x on all procs
double *x = new double[natoms * 3];
auto *x = new double[natoms * 3];
lammps_gather(lmp, (char *)"x", 1, 3, x);
int *tag = (int *)lammps_extract_atom(lmp, "id");
double **x_local = (double **)lammps_extract_atom(lmp, "x");
int *tag = (int *)lammps_extract_atom(lmp, "id");
auto **x_local = (double **)lammps_extract_atom(lmp, "x");
// each proc checks its local atoms
for (int i = 0; i < nlocal; i++) {
@ -287,10 +287,10 @@ TEST_F(MPITest, gather)
TEST_F(MPITest, scatter)
{
int *p_nlocal = (int *)lammps_extract_global(lmp, "nlocal");
int nlocal = *p_nlocal;
double *x_orig = new double[3 * nlocal];
double **x_local = (double **)lammps_extract_atom(lmp, "x");
int *p_nlocal = (int *)lammps_extract_global(lmp, "nlocal");
int nlocal = *p_nlocal;
auto *x_orig = new double[3 * nlocal];
auto **x_local = (double **)lammps_extract_atom(lmp, "x");
// make copy of original local x vector
for (int i = 0; i < nlocal; i++) {
@ -301,8 +301,8 @@ TEST_F(MPITest, scatter)
}
// get the entire x on all procs
int64_t natoms = (int64_t)lammps_get_natoms(lmp);
double *x = new double[natoms * 3];
auto natoms = (int64_t)lammps_get_natoms(lmp);
auto *x = new double[natoms * 3];
lammps_gather(lmp, (char *)"x", 1, 3, x);
// shift all coordinates by 0.001