forked from lijiext/lammps
68 lines
1.5 KiB
C++
68 lines
1.5 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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www.cs.sandia.gov/~sjplimp/lammps.html
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Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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FixStyle(nvt/sllod,FixNVTSllod)
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#else
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#ifndef LMP_FIX_NVT_SLLOD_H
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#define LMP_FIX_NVT_SLLOD_H
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#include "fix_nh.h"
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namespace LAMMPS_NS {
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class FixNVTSllod : public FixNH {
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public:
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FixNVTSllod(class LAMMPS *, int, char **);
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~FixNVTSllod() {}
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void init();
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private:
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int nondeformbias;
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void nh_v_temp();
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Temperature control must be used with fix nvt/sllod
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Self-explanatory.
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E: Pressure control can not be used with fix nvt/sllod
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Self-explanatory.
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E: Temperature for fix nvt/sllod does not have a bias
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The specified compute must compute temperature with a bias.
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E: Using fix nvt/sllod with inconsistent fix deform remap option
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Fix nvt/sllod requires that deforming atoms have a velocity profile
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provided by "remap v" as a fix deform option.
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E: Using fix nvt/sllod with no fix deform defined
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Self-explanatory.
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*/
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