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Merge branch 'master' into use-clang-format-demo

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# Conflicts:
#	unittest/force-styles/pair_style.cpp
#	unittest/utils/test_utils.cpp
This commit is contained in:
Axel Kohlmeyer
2020-06-15 16:14:13 -04:00
parent 65ff6bb617 4a3d9afb54
commit 14c22a004a
469 changed files with 790662 additions and 7532 deletions
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6
unittest/force-styles/pair_style.cpp
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@ -578,11 +578,11 @@ TEST(PairStyle, plain)
// need to relax error by a large amount with tabulation, since
// coul/long styles do not use tabulation in compute_inner()
// and compute_middle() so we get a significant deviation.
pair = lmp->force->pair;
if (pair->ncoultablebits) epsilon *= 1.0e6;
f = lmp->atom->f;
tag = lmp->atom->tag;
pair = lmp->force->pair;
f = lmp->atom->f;
tag = lmp->atom->tag;
stats.reset();
for (int i = 0; i < nlocal; ++i) {
EXPECT_FP_LE_WITH_EPS(f[i][0], f_run[tag[i]].x, 5 * epsilon);