ICODE-ADC/lammps
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cosmetic

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This commit is contained in:
Axel Kohlmeyer
2022-10-14 05:08:24 -04:00
parent 7c5128881e
commit c47b16c358
2 changed files with 5 additions and 6 deletions
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10
src/lammps.cpp
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@ -416,8 +416,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
strcmp(arg[iarg],"-sf") == 0) {
if (iarg+2 > narg)
error->universe_all(FLERR,"Invalid command-line argument");
delete [] suffix;
delete [] suffix2;
delete[] suffix;
delete[] suffix2;
suffix = suffix2 = nullptr;
suffix_enable = 1;
// hybrid option to set fall-back for suffix2
@ -773,9 +773,9 @@ LAMMPS::~LAMMPS()
delete python;
delete kokkos;
delete [] suffix;
delete [] suffix2;
delete [] suffixp;
delete[] suffix;
delete[] suffix2;
delete[] suffixp;
// free the MPI comm created by -mpicolor cmdline arg processed in constructor
// it was passed to universe as if original universe world

1
unittest/formats/test_atom_styles.cpp
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@ -647,7 +647,6 @@ TEST_F(AtomStyleTest, atomic)
END_HIDE_OUTPUT();
ASSERT_EQ(lmp->atom->map_tag_max, 16);
x = lmp->atom->x;
tag = lmp->atom->tag;
EXPECT_NEAR(x[GETIDX(1)][0], -2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][1], 2.0, EPSILON);
EXPECT_NEAR(x[GETIDX(1)][2], 0.1, EPSILON);