From 4ef17e11321619ff39d904121994e4e0f42e4698 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 26 Oct 2015 19:15:26 -0400 Subject: [PATCH] add some simple tests for displace_atoms --- test/02_commands/in.displace_atoms-000 | 22 ++++++++++++++++++++++ test/02_commands/in.displace_atoms-001 | 22 ++++++++++++++++++++++ test/02_commands/in.displace_atoms-002 | 26 ++++++++++++++++++++++++++ 3 files changed, 70 insertions(+) create mode 100644 test/02_commands/in.displace_atoms-000 create mode 100644 test/02_commands/in.displace_atoms-001 create mode 100644 test/02_commands/in.displace_atoms-002 diff --git a/test/02_commands/in.displace_atoms-000 b/test/02_commands/in.displace_atoms-000 new file mode 100644 index 0000000000..9ce95e0a25 --- /dev/null +++ b/test/02_commands/in.displace_atoms-000 @@ -0,0 +1,22 @@ + +timer off +lattice fcc 0.8442 +region box block 0 10 0 10 0 10 +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 3.0 87287 + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +displace_atoms all move 0.0 0.0 0.0 + +fix 1 all nve + +thermo 50 +run 200 diff --git a/test/02_commands/in.displace_atoms-001 b/test/02_commands/in.displace_atoms-001 new file mode 100644 index 0000000000..9037063280 --- /dev/null +++ b/test/02_commands/in.displace_atoms-001 @@ -0,0 +1,22 @@ + +timer off +lattice fcc 0.8442 +region box block 0 10 0 10 0 10 +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 3.0 87287 + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +displace_atoms all move 0.01 -0.01 0.01 + +fix 1 all nve + +thermo 50 +run 200 diff --git a/test/02_commands/in.displace_atoms-002 b/test/02_commands/in.displace_atoms-002 new file mode 100644 index 0000000000..acbb38d61e --- /dev/null +++ b/test/02_commands/in.displace_atoms-002 @@ -0,0 +1,26 @@ + +timer off +lattice fcc 0.8442 +region box block 0 10 0 10 0 10 +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 3.0 87287 + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +variable randx atom random(0.0,0.01,1111) +variable randy atom random(0.0,0.01,1111) +variable randz atom random(0.0,0.01,1111) + +displace_atoms all move v_randx v_randy v_randz + +fix 1 all nve + +thermo 50 +run 200