From 29b075c8a2e7efb406ce3fa0ab6a4ffbaa63b415 Mon Sep 17 00:00:00 2001 From: Peter Shannon Date: Tue, 1 Jun 2010 12:04:31 -0400 Subject: [PATCH] Added in.melt-cut-coul-cut and in.melt-cut-coul-cut-omp --- tests/in.melt-cut-coul-cut | 25 +++++++++++++++++++++++++ tests/in.melt-cut-coul-cut-omp | 25 +++++++++++++++++++++++++ 2 files changed, 50 insertions(+) create mode 100644 tests/in.melt-cut-coul-cut create mode 100644 tests/in.melt-cut-coul-cut-omp diff --git a/tests/in.melt-cut-coul-cut b/tests/in.melt-cut-coul-cut new file mode 100644 index 0000000000..0bbcaf0fcc --- /dev/null +++ b/tests/in.melt-cut-coul-cut @@ -0,0 +1,25 @@ +# 3d Lennard-Jones melt + +units lj +atom_style full + +lattice fcc 0.8442 +region box block 0 20 0 20 0 20 +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 3.0 87287 + +pair_style lj/cut/coul/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +fix 1 all nve + +#dump id all atom 50 dump.melt + +thermo 50 +run 250 diff --git a/tests/in.melt-cut-coul-cut-omp b/tests/in.melt-cut-coul-cut-omp new file mode 100644 index 0000000000..33077075c4 --- /dev/null +++ b/tests/in.melt-cut-coul-cut-omp @@ -0,0 +1,25 @@ +# 3d Lennard-Jones melt + +units lj +atom_style full + +lattice fcc 0.8442 +region box block 0 20 0 20 0 20 +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 3.0 87287 + +pair_style lj/cut/coul/cut/omp 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +fix 1 all nve + +#dump id all atom 50 dump.melt + +thermo 50 +run 250