/usr/include/liggghts/fix_nvt_sllod.h is in libliggghts-dev 2.3.8-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 | /* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(nvt/sllod,FixNVTSllod)
#else
#ifndef LMP_FIX_NVT_SLLOD_H
#define LMP_FIX_NVT_SLLOD_H
#include "fix_nh.h"
namespace LAMMPS_NS {
class FixNVTSllod : public FixNH {
public:
FixNVTSllod(class LAMMPS *, int, char **);
~FixNVTSllod() {}
void init();
private:
int nondeformbias;
void nh_v_temp();
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Temperature control must be used with fix nvt/sllod
Self-explanatory.
E: Pressure control can not be used with fix nvt/sllod
Self-explanatory.
E: Temperature for fix nvt/sllod does not have a bias
The specified compute must compute temperature with a bias.
E: Using fix nvt/sllod with inconsistent fix deform remap option
Fix nvt/sllod requires that deforming atoms have a velocity profile
provided by "remap v" as a fix deform option.
E: Using fix nvt/sllod with no fix deform defined
Self-explanatory.
*/
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