1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
|
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef TEST_EXAMPLE_MELT__H
#define TEST_EXAMPLE_MELT__H
#include "../core.h"
class MeltTest : public LAMMPSTest {
protected:
virtual void InitSystem() override
{
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("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("neighbor 0.3 bin");
command("neigh_modify every 20 delay 0 check no");
});
}
};
#endif
|
