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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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60
unittest/commands/test_compute_chunk.cpp
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@ -120,14 +120,14 @@ TEST_F(ComputeChunkTest, ChunkAtom)
EXPECT_EQ(get_scalar("mols"), 6);
EXPECT_EQ(get_scalar("types"), 5);
auto cbin1d = get_peratom("bin1d");
auto cbin2d = get_peratom("bin2d");
auto cbin3d = get_peratom("bin3d");
auto cbinsph = get_peratom("binsph");
auto cbincyl = get_peratom("bincyl");
auto cmols = get_peratom("mols");
auto ctypes = get_peratom("types");
auto tag = get_peratom("tags");
auto *cbin1d = get_peratom("bin1d");
auto *cbin2d = get_peratom("bin2d");
auto *cbin3d = get_peratom("bin3d");
auto *cbinsph = get_peratom("binsph");
auto *cbincyl = get_peratom("bincyl");
auto *cmols = get_peratom("mols");
auto *ctypes = get_peratom("types");
auto *tag = get_peratom("tags");
for (int i = 0; i < natoms; ++i) {
EXPECT_EQ(cbin1d[i], chunk1d[(int)tag[i]]);
@ -180,16 +180,16 @@ TEST_F(ComputeChunkTest, PropertyChunk)
command("run 0 post no");
END_HIDE_OUTPUT();
auto cprop1 = get_vector("prop1");
auto *cprop1 = get_vector("prop1");
EXPECT_EQ(cprop1[0], 0);
EXPECT_EQ(cprop1[1], 7);
EXPECT_EQ(cprop1[2], 16);
EXPECT_EQ(cprop1[3], 6);
EXPECT_EQ(cprop1[4], 0);
auto cprop2 = get_vector("prop2");
int nempty = 0;
int ncount = 0;
auto *cprop2 = get_vector("prop2");
int nempty = 0;
int ncount = 0;
for (int i = 0; i < 25; ++i) {
if (cprop2[i] == 0)
++nempty;
@ -199,7 +199,7 @@ TEST_F(ComputeChunkTest, PropertyChunk)
EXPECT_EQ(nempty, 17);
EXPECT_EQ(ncount, 29);
auto cprop3 = get_array("prop3");
auto *cprop3 = get_array("prop3");
EXPECT_EQ(cprop3[0][0], 34);
EXPECT_EQ(cprop3[1][0], 38);
EXPECT_EQ(cprop3[2][0], 43);
@ -250,15 +250,15 @@ TEST_F(ComputeChunkTest, ChunkComputes)
command("fix hist2 all ave/time 1 1 1 c_tmp mode vector");
command("run 0 post no");
END_HIDE_OUTPUT();
auto cang = get_array("ang");
auto ccom = get_array("com");
auto cdip = get_array("dip");
auto cgyr = get_vector("gyr");
auto cmom = get_array("mom");
auto comg = get_array("omg");
auto ctmp = get_vector("tmp");
auto ctrq = get_array("trq");
auto cvcm = get_array("vcm");
auto *cang = get_array("ang");
auto *ccom = get_array("com");
auto *cdip = get_array("dip");
auto *cgyr = get_vector("gyr");
auto *cmom = get_array("mom");
auto *comg = get_array("omg");
auto *ctmp = get_vector("tmp");
auto *ctrq = get_array("trq");
auto *cvcm = get_array("vcm");
EXPECT_NEAR(cang[0][0], -0.01906982, EPSILON);
EXPECT_NEAR(cang[0][1], -0.02814532, EPSILON);
EXPECT_NEAR(cang[0][2], -0.03357393, EPSILON);
@ -329,7 +329,7 @@ TEST_F(ComputeChunkTest, ChunkTIP4PComputes)
command("fix hist1 all ave/time 1 1 1 c_dip[*] mode vector");
command("run 0 post no");
END_HIDE_OUTPUT();
auto cdip = get_array("dip");
auto *cdip = get_array("dip");
EXPECT_NEAR(cdip[0][3], 0.35912150, EPSILON);
EXPECT_NEAR(cdip[1][3], 0.68453713, EPSILON);
EXPECT_NEAR(cdip[2][3], 0.50272643, EPSILON);
@ -358,11 +358,11 @@ TEST_F(ComputeChunkTest, ChunkSpreadGlobal)
const int natoms = lammps_get_natoms(lmp);
auto cgyr = get_vector("gyr");
auto cspr = get_peratom("spr");
auto cglb = get_peratom("glb");
auto codd = get_peratom("odd");
auto ctag = get_peratom("tags");
auto *cgyr = get_vector("gyr");
auto *cspr = get_peratom("spr");
auto *cglb = get_peratom("glb");
auto *codd = get_peratom("odd");
auto *ctag = get_peratom("tags");
for (int i = 0; i < natoms; ++i) {
EXPECT_EQ(cspr[i], cgyr[chunkmol[(int)ctag[i]] - 1]);
@ -389,8 +389,8 @@ TEST_F(ComputeChunkTest, ChunkReduce)
const int nchunks = get_scalar("mols");
auto cprp = get_vector("prp");
auto cred = get_vector("red");
auto *cprp = get_vector("prp");
auto *cred = get_vector("red");
for (int i = 0; i < nchunks; ++i)
EXPECT_EQ(cprp[i], cred[i]);