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

remove include/using/enum's no longer needed

Browse Source
This commit is contained in:
alphataubio
2024-08-06 11:25:47 -04:00
parent 056e3c0853
commit 83ce042a86
2 changed files with 31 additions and 23 deletions
Download Patch File Download Diff File Expand all files Collapse all files

15
src/KOKKOS/fix_deform_kokkos.cpp
View File

@ -22,23 +22,8 @@
#include "atom_kokkos.h" #include "atom_kokkos.h"
#include "atom_masks.h" #include "atom_masks.h"
#include "domain_kokkos.h" #include "domain_kokkos.h"
#include "force.h"
#include "input.h"
#include "irregular.h"
#include "kspace.h"
#include "math_const.h"
#include "modify.h"
#include "update.h"
#include "variable.h"
#include <cmath>
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using namespace FixConst;
using namespace MathConst;
enum{NONE=0,FINAL,DELTA,SCALE,VEL,ERATE,TRATE,VOLUME,WIGGLE,VARIABLE};
enum{ONE_FROM_ONE,ONE_FROM_TWO,TWO_FROM_ONE};
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

37
unittest/formats/test_atom_styles.cpp
View File

@ -90,10 +90,15 @@ bool verbose = false;
static const double EPSILON = 5.0e-14; static const double EPSILON = 5.0e-14;
namespace LAMMPS_NS { namespace LAMMPS_NS {
using ::testing::Eq; using ::testing::Eq;
using ::testing::TestWithParam;
using ::testing::Values;
class AtomStyleTest : public LAMMPSTest { enum ACCELERATOR { PLAIN, KOKKOS_OMP };
class AtomStyleTest : public LAMMPSTest, public ::testing::WithParamInterface<ACCELERATOR> {
protected: protected:
static void SetUpTestSuite() { create_molecule_files("h2o.mol", "co2.mol"); } static void SetUpTestSuite() { create_molecule_files("h2o.mol", "co2.mol"); }
@ -105,15 +110,18 @@ protected:
void SetUp() override void SetUp() override
{ {
if( GetParam() == KOKKOS_OMP )
args = {"-k","on","t","4","-sf","kk"};
testbinary = "AtomStyleTest"; testbinary = "AtomStyleTest";
LAMMPSTest::SetUp(); LAMMPSTest::SetUp();
ASSERT_NE(lmp, nullptr); ASSERT_NE(lmp, nullptr);
BEGIN_HIDE_OUTPUT(); //BEGIN_HIDE_OUTPUT();
command("units real"); command("units real");
command("dimension 3"); command("dimension 3");
command("pair_style zero 4.0"); command("pair_style zero 4.0");
command("region box block -4 4 -4 4 -4 4"); command("region box block -4 4 -4 4 -4 4");
END_HIDE_OUTPUT(); //END_HIDE_OUTPUT();
} }
void TearDown() override void TearDown() override
@ -261,6 +269,11 @@ struct AtomState {
void ASSERT_ATOM_STATE_EQ(Atom *atom, const AtomState &expected) void ASSERT_ATOM_STATE_EQ(Atom *atom, const AtomState &expected)
{ {
std::string suffix = "/kk";
if( GetParam() == KOKKOS_OMP )
ASSERT_THAT(std::string(atom->atom_style), Eq(expected.atom_style.append(suffix)));
else
ASSERT_THAT(std::string(atom->atom_style), Eq(expected.atom_style)); ASSERT_THAT(std::string(atom->atom_style), Eq(expected.atom_style));
ASSERT_NE(atom->avec, nullptr); ASSERT_NE(atom->avec, nullptr);
@ -466,7 +479,7 @@ void ASSERT_ATOM_STATE_EQ(Atom *atom, const AtomState &expected)
ASSERT_EQ(atom->map_tag_max, expected.map_tag_max); ASSERT_EQ(atom->map_tag_max, expected.map_tag_max);
} }
TEST_F(AtomStyleTest, atomic_is_default) TEST_P(AtomStyleTest, atomic_is_default)
{ {
AtomState expected; AtomState expected;
expected.atom_style = "atomic"; expected.atom_style = "atomic";
@ -482,7 +495,7 @@ TEST_F(AtomStyleTest, atomic_is_default)
ASSERT_ATOM_STATE_EQ(lmp->atom, expected); ASSERT_ATOM_STATE_EQ(lmp->atom, expected);
} }
TEST_F(AtomStyleTest, atomic_after_charge) TEST_P(AtomStyleTest, atomic_after_charge)
{ {
AtomState expected; AtomState expected;
expected.atom_style = "atomic"; expected.atom_style = "atomic";
@ -503,7 +516,7 @@ TEST_F(AtomStyleTest, atomic_after_charge)
ASSERT_ATOM_STATE_EQ(lmp->atom, expected); ASSERT_ATOM_STATE_EQ(lmp->atom, expected);
} }
TEST_F(AtomStyleTest, atomic) TEST_P(AtomStyleTest, atomic)
{ {
BEGIN_HIDE_OUTPUT(); BEGIN_HIDE_OUTPUT();
command("atom_modify map hash"); command("atom_modify map hash");
@ -693,7 +706,9 @@ TEST_F(AtomStyleTest, atomic)
EXPECT_NEAR(x[GETIDX(16)][2], 7.9, EPSILON); EXPECT_NEAR(x[GETIDX(16)][2], 7.9, EPSILON);
} }
TEST_F(AtomStyleTest, no_tags) /*
TEST_P(AtomStyleTest, no_tags)
{ {
BEGIN_HIDE_OUTPUT(); BEGIN_HIDE_OUTPUT();
command("atom_modify id no"); command("atom_modify id no");
@ -5376,8 +5391,14 @@ TEST_F(AtomStyleTest, oxdna)
END_HIDE_OUTPUT(); END_HIDE_OUTPUT();
} }
*/
INSTANTIATE_TEST_SUITE_P( TestSuite, AtomStyleTest,
::testing::Values(PLAIN, KOKKOS_OMP) );
} // namespace LAMMPS_NS } // namespace LAMMPS_NS
int main(int argc, char **argv) int main(int argc, char **argv)
{ {
MPI_Init(&argc, &argv); MPI_Init(&argc, &argv);
@ -5398,3 +5419,5 @@ int main(int argc, char **argv)
MPI_Finalize(); MPI_Finalize();
return rv; return rv;
} }