From b28f6cb8ca2eb8826dac044636d53d7fa8a24bd5 Mon Sep 17 00:00:00 2001 From: Aidan Thompson Date: Wed, 13 Jan 2021 16:49:36 -0700 Subject: [PATCH] Removed some tersoff variants from threebody test set --- .../{threebody => tersoff}/Si.tersoff.mod | 0 .../{threebody => tersoff}/Si.tersoff.modc | 0 examples/threebody/in.threebody | 32 ------------------- ...body.g++.1 => log.13Jan21.threebody.g++.1} | 0 ...body.g++.4 => log.13Jan21.threebody.g++.4} | 0 5 files changed, 32 deletions(-) rename examples/{threebody => tersoff}/Si.tersoff.mod (100%) rename examples/{threebody => tersoff}/Si.tersoff.modc (100%) rename examples/threebody/{log.31Dec20.threebody.g++.1 => log.13Jan21.threebody.g++.1} (100%) rename examples/threebody/{log.31Dec20.threebody.g++.4 => log.13Jan21.threebody.g++.4} (100%) diff --git a/examples/threebody/Si.tersoff.mod b/examples/tersoff/Si.tersoff.mod similarity index 100% rename from examples/threebody/Si.tersoff.mod rename to examples/tersoff/Si.tersoff.mod diff --git a/examples/threebody/Si.tersoff.modc b/examples/tersoff/Si.tersoff.modc similarity index 100% rename from examples/threebody/Si.tersoff.modc rename to examples/tersoff/Si.tersoff.modc diff --git a/examples/threebody/in.threebody b/examples/threebody/in.threebody index 8696e54d7b..951a364b57 100644 --- a/examples/threebody/in.threebody +++ b/examples/threebody/in.threebody @@ -114,35 +114,3 @@ neighbor 1.0 bin neigh_modify every 1 delay 10 check yes run 100 -# Test Tersoff/Mod model for Si - -clear -read_restart restart.equil - -pair_style tersoff/mod -pair_coeff * * Si.tersoff.mod Si Si Si Si Si Si Si Si - -thermo 10 -fix 1 all nvt temp $t $t 0.1 -fix_modify 1 energy yes -timestep 1.0e-3 -neighbor 1.0 bin -neigh_modify every 1 delay 10 check yes -run 100 - -# Test Tersoff/Mod/C model for Si - -clear -read_restart restart.equil -newton on on -pair_style tersoff/mod/c -pair_coeff * * Si.tersoff.modc Si Si Si Si Si Si Si Si - -thermo 10 -fix 1 all nvt temp $t $t 0.1 -fix_modify 1 energy yes -timestep 1.0e-3 -neighbor 1.0 bin -neigh_modify every 1 delay 10 check yes -run 100 - diff --git a/examples/threebody/log.31Dec20.threebody.g++.1 b/examples/threebody/log.13Jan21.threebody.g++.1 similarity index 100% rename from examples/threebody/log.31Dec20.threebody.g++.1 rename to examples/threebody/log.13Jan21.threebody.g++.1 diff --git a/examples/threebody/log.31Dec20.threebody.g++.4 b/examples/threebody/log.13Jan21.threebody.g++.4 similarity index 100% rename from examples/threebody/log.31Dec20.threebody.g++.4 rename to examples/threebody/log.13Jan21.threebody.g++.4