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Merge branch 'master' into more-unittests

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# Conflicts:
#	unittest/testing/core.h
This commit is contained in:
Axel Kohlmeyer
2021-04-01 11:11:18 -04:00
parent 20e6174e59 21c934d2cd
commit 3668ce1374
23 changed files with 626 additions and 127 deletions
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28
unittest/testing/systems/melt.h
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@ -19,23 +19,25 @@ class MeltTest : public LAMMPSTest {
protected:
virtual void InitSystem() override
{
command("units lj");
command("atom_style atomic");
command("atom_modify map yes");
HIDE_OUTPUT([&] {
command("units lj");
command("atom_style atomic");
command("atom_modify map yes");
command("lattice fcc 0.8442");
command("region box block 0 2 0 2 0 2");
command("create_box 1 box");
command("create_atoms 1 box");
command("mass 1 1.0");
command("lattice fcc 0.8442");
command("region box block 0 2 0 2 0 2");
command("create_box 1 box");
command("create_atoms 1 box");
command("mass 1 1.0");
command("velocity all create 3.0 87287");
command("velocity all create 3.0 87287");
command("pair_style lj/cut 2.5");
command("pair_coeff 1 1 1.0 1.0 2.5");
command("pair_style lj/cut 2.5");
command("pair_coeff 1 1 1.0 1.0 2.5");
command("neighbor 0.3 bin");
command("neigh_modify every 20 delay 0 check no");
command("neighbor 0.3 bin");
command("neigh_modify every 20 delay 0 check no");
});
}
};