ICODE-ADC/lammps
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adjust lj/cut parameters to produce smaller forces

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This commit is contained in:
Axel Kohlmeyer
2020-06-22 23:28:58 -04:00
parent 0d7aed3234
commit a7436a7b76
1 changed files with 2 additions and 2 deletions
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4
unittest/formats/test_pair_unit_convert.cpp
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@ -125,7 +125,7 @@ TEST_F(PairUnitConvertTest, lj_cut)
lmp->input->one("units metal"); lmp->input->one("units metal");
lmp->input->one("read_data test_pair_unit_convert.data"); lmp->input->one("read_data test_pair_unit_convert.data");
lmp->input->one("pair_style lj/cut 6.0"); 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"); lmp->input->one("run 0 post no");
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
@ -141,7 +141,7 @@ TEST_F(PairUnitConvertTest, lj_cut)
lmp->input->one("units real"); lmp->input->one("units real");
lmp->input->one("read_data test_pair_unit_convert.data"); lmp->input->one("read_data test_pair_unit_convert.data");
lmp->input->one("pair_style lj/cut 6.0"); 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"); lmp->input->one("run 0 post no");
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();