Parallel Finite Element - General geometry Ewald-like Method
Part of Continuum-particle Simulation Suite under MICCOM
fix_rigid_sphereWall_lj_cut.h
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1 // Parallel Finite Element-General Geometry Ewald-like Method.
2 // Copyright (C) 2015-2016 Xujun Zhao, Jiyuan Li, Xikai Jiang
3 
4 // This code is free software; you can redistribute it and/or
5 // modify it under the terms of the GNU General Public
6 // License as published by the Free Software Foundation; either
7 // version 2.1 of the License, or (at your option) any later version.
8 
9 
10 // This code is distributed in the hope that it will be useful,
11 // but WITHOUT ANY WARRANTY; without even the implied warranty of
12 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
13 // Lesser General Public License for more details.
14 
15 
16 // You should have received a copy of the GNU General Public
17 // License along with this code; if not, write to the Free Software
18 // Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
19 
20 
21 #pragma once
22 
23 #include "fix_rigid.h"
24 namespace libMesh
25 {
26 
28 {
29 
30 public:
31 
33 
35 
36  void initParams();
37 
38  void print_fix();
39 
40  void compute();
41 
42 protected:
43  Real epsilon;
44  Real sigma;
45  Real rCut;
47 
48 };
49 
50 }
FixRigidSphereWallLJCut(PMLinearImplicitSystem &pm_sys)
Definition: fix_rigid_sphereWall_lj_cut.C:3
Definition: fix_rigid.h:41
Definition: brownian_system.h:58
void compute()
Definition: fix_rigid_sphereWall_lj_cut.C:42
void print_fix()
Definition: fix_rigid_sphereWall_lj_cut.C:34
Real sigma
Definition: fix_rigid_sphereWall_lj_cut.h:44
Real epsilon
Definition: fix_rigid_sphereWall_lj_cut.h:43
Definition: pm_linear_implicit_system.h:52
Real rCut
Definition: fix_rigid_sphereWall_lj_cut.h:45
Definition: fix_rigid_sphereWall_lj_cut.h:27
void initParams()
Check if num of parameters are correct.
Definition: fix_rigid_sphereWall_lj_cut.C:10
~FixRigidSphereWallLJCut()
Definition: fix_rigid_sphereWall_lj_cut.h:34
Real cavity_radius
Definition: fix_rigid_sphereWall_lj_cut.h:46