angle-spica.yaml using in.spica and data.spica

in.spica and data.spica based on  in.fourmol and data.fourmol with pair style lj_spica instead of pair style zero
This commit is contained in:
alphataubio
2024-06-05 19:13:16 -04:00
parent 7990da4ee8
commit 43d94985fa
4 changed files with 355 additions and 0 deletions

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@ -706,6 +706,9 @@ TEST(AngleStyle, numdiff)
TEST(AngleStyle, single)
{
if (test_config.skip_tests.count(test_info_->name())) GTEST_SKIP();
// angle-spica test not compatible with pair zero
if (utils::strmatch(test_config.angle_style, "^spica")) GTEST_SKIP();
LAMMPS::argv args = {"AngleStyle", "-log", "none", "-echo", "screen", "-nocite"};