1 /* -*- c++ -*- ----------------------------------------------------------
2    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
3    www.cs.sandia.gov/~sjplimp/lammps.html
4    Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
5 
6    Copyright (2003) Sandia Corporation.  Under the terms of Contract
7    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
8    certain rights in this software.  This software is distributed under
9    the GNU General Public License.
10 
11    See the README file in the top-level LAMMPS directory.
12 ------------------------------------------------------------------------- */
13 
14 #ifdef FIX_CLASS
15 // clang-format off
16 FixStyle(nvt/sllod,FixNVTSllod);
17 // clang-format on
18 #else
19 
20 #ifndef LMP_FIX_NVT_SLLOD_H
21 #define LMP_FIX_NVT_SLLOD_H
22 
23 #include "fix_nh.h"
24 
25 namespace LAMMPS_NS {
26 
27 class FixNVTSllod : public FixNH {
28  public:
29   FixNVTSllod(class LAMMPS *, int, char **);
~FixNVTSllod()30   ~FixNVTSllod() {}
31   void init();
32 
33  private:
34   int nondeformbias;
35 
36   void nh_v_temp();
37 };
38 
39 }    // namespace LAMMPS_NS
40 
41 #endif
42 #endif
43 
44 /* ERROR/WARNING messages:
45 
46 E: Temperature control must be used with fix nvt/sllod
47 
48 Self-explanatory.
49 
50 E: Pressure control can not be used with fix nvt/sllod
51 
52 Self-explanatory.
53 
54 E: Temperature for fix nvt/sllod does not have a bias
55 
56 The specified compute must compute temperature with a bias.
57 
58 E: Using fix nvt/sllod with inconsistent fix deform remap option
59 
60 Fix nvt/sllod requires that deforming atoms have a velocity profile
61 provided by "remap v" as a fix deform option.
62 
63 E: Using fix nvt/sllod with no fix deform defined
64 
65 Self-explanatory.
66 
67 */
68