From 385d239b9e5a7479327d97a2942b4dca17290ae2 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 29 Jun 2020 00:59:01 -0400 Subject: [PATCH] small tweak for passing r-RESPA tests with coulomb table --- unittest/force-styles/pair_style.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/unittest/force-styles/pair_style.cpp b/unittest/force-styles/pair_style.cpp index 1bd7906e26..e30c8ff67d 100644 --- a/unittest/force-styles/pair_style.cpp +++ b/unittest/force-styles/pair_style.cpp @@ -571,7 +571,7 @@ TEST(PairStyle, plain) if (!verbose) ::testing::internal::CaptureStdout(); cleanup_lammps(lmp, test_config); 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); if (!verbose) ::testing::internal::GetCapturedStdout(); @@ -579,7 +579,7 @@ TEST(PairStyle, plain) // 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; + if (pair->ncoultablebits) epsilon *= 5.0e6; f = lmp->atom->f; tag = lmp->atom->tag;