From a7436a7b76ccee285a1beff003a7f40722f94b2c Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 22 Jun 2020 23:28:58 -0400 Subject: [PATCH] adjust lj/cut parameters to produce smaller forces --- unittest/formats/test_pair_unit_convert.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/unittest/formats/test_pair_unit_convert.cpp b/unittest/formats/test_pair_unit_convert.cpp index 0dc4f1ec6b..32203c7378 100644 --- a/unittest/formats/test_pair_unit_convert.cpp +++ b/unittest/formats/test_pair_unit_convert.cpp @@ -125,7 +125,7 @@ TEST_F(PairUnitConvertTest, lj_cut) lmp->input->one("units metal"); lmp->input->one("read_data test_pair_unit_convert.data"); lmp->input->one("pair_style lj/cut 6.0"); - lmp->input->one("pair_coeff * * 0.01014286346782117 3.504"); + lmp->input->one("pair_coeff * * 0.01014286346782117 2.0"); lmp->input->one("run 0 post no"); if (!verbose) ::testing::internal::GetCapturedStdout(); @@ -141,7 +141,7 @@ TEST_F(PairUnitConvertTest, lj_cut) lmp->input->one("units real"); lmp->input->one("read_data test_pair_unit_convert.data"); lmp->input->one("pair_style lj/cut 6.0"); - lmp->input->one("pair_coeff * * 0.2339 3.504"); + lmp->input->one("pair_coeff * * 0.2339 2.0"); lmp->input->one("run 0 post no"); if (!verbose) ::testing::internal::GetCapturedStdout();