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Revert "added dihedral charmfsw kokkos test"

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This reverts commit 95af3cdab2.
This commit is contained in:
alphataubio
2024-06-13 12:27:56 -04:00
parent 95af3cdab2
commit af9d97ea07
14 changed files with 8 additions and 15883 deletions
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14
unittest/force-styles/test_fix_timestep.cpp
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@ -104,13 +104,8 @@ LAMMPS *init_lammps(LAMMPS::argv & args, const TestConfig &cfg, const bool use_r
if (use_respa) command("run_style respa 2 1 bond 1 pair 2");
std::cerr << "============ test_config.input_file = " << test_config.input_file << "\n\n";
if (!utils::strmatch(test_config.input_file, "in.dpdrx-shardlow") ) {
std::cerr << "set up molecular system force field\n\n";
// set up molecular system force field
command("pair_style lj/cut 8.0");
command("pair_coeff 1 1 0.02 2.5");
command("pair_coeff 2 2 0.005 1.0");
@ -131,16 +126,11 @@ LAMMPS *init_lammps(LAMMPS::argv & args, const TestConfig &cfg, const bool use_r
command("angle_coeff 4 100.0 108.5");
command("group solute molecule 1:2");
command("group solvent molecule 3:5");
}
for (auto &post_command : cfg.post_commands)
command(post_command);
if (utils::strmatch(test_config.input_file, "in.dpdrx-shardlow") )
command("timestep 0.001");
else
command("timestep 0.25");
command("timestep 0.25");
command("run 0 post no");
command("thermo 2");
command("run 4 post no start 0 stop 8");