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small tweak for passing r-RESPA tests with coulomb table

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This commit is contained in:
Axel Kohlmeyer
2020-06-29 00:59:01 -04:00
parent 51174d4ad1
commit 385d239b9e
1 changed files with 2 additions and 2 deletions
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4
unittest/force-styles/pair_style.cpp
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@ -571,7 +571,7 @@ TEST(PairStyle, plain)
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();
cleanup_lammps(lmp, test_config); cleanup_lammps(lmp, test_config);
lmp = init_lammps(argc, argv, test_config, false); lmp = init_lammps(argc, argv, test_config, false);
lmp->input->one("run_style respa 2 1 inner 1 4.0 5.0 outer 2"); lmp->input->one("run_style respa 2 1 inner 1 4.8 5.5 outer 2");
run_lammps(lmp); run_lammps(lmp);
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
@ -579,7 +579,7 @@ TEST(PairStyle, plain)
// coul/long styles do not use tabulation in compute_inner() // coul/long styles do not use tabulation in compute_inner()
// and compute_middle() so we get a significant deviation. // and compute_middle() so we get a significant deviation.
pair = lmp->force->pair; pair = lmp->force->pair;
if (pair->ncoultablebits) epsilon *= 1.0e6; if (pair->ncoultablebits) epsilon *= 5.0e6;
f = lmp->atom->f; f = lmp->atom->f;
tag = lmp->atom->tag; tag = lmp->atom->tag;