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added internal fix dummy command to enable more control of fix ordering

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Steve Plimpton
2019-11-05 12:57:34 -07:00
parent cf251eb8be
commit d8ef5f6991
17 changed files with 253 additions and 32 deletions
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src/fix_dummy.cpp Normal file
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, 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.
------------------------------------------------------------------------- */
#include "fix_dummy.h"
#include <cstring>
#include "error.h"
using namespace LAMMPS_NS;
using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixDummy::FixDummy(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
// process optional args
// customize here and in setmask() by adding a new keyword from fix.h
// only necessary if both of these are true:
// (a) the real fix you are placeholding for defines the method
// (b) the real fix will be defined so late in run initialization
// that the dummy fix will have already been processed by Modify::init()
// to add its index to its lists of fixes to invoke during timestepping
initial_integrate_flag = final_integrate_flag = 0;
pre_exchange_flag = pre_neighbor_flag = 0;
pre_force_flag = post_force_flag = 0;
end_of_step_flag = 0;
int iarg = 3;
while (iarg < narg) {
if (strcmp(arg[iarg],"initial_integrate") == 0) initial_integrate_flag = 1;
else if (strcmp(arg[iarg],"final_integrate") == 0) final_integrate_flag = 1;
else if (strcmp(arg[iarg],"final_integrate") == 0) final_integrate_flag = 1;
else if (strcmp(arg[iarg],"final_integrate") == 0) final_integrate_flag = 1;
else if (strcmp(arg[iarg],"final_integrate") == 0) final_integrate_flag = 1;
else if (strcmp(arg[iarg],"final_integrate") == 0) final_integrate_flag = 1;
else error->all(FLERR,"Illegal fix DUMMY command");
iarg++;
}
}
/* ---------------------------------------------------------------------- */
int FixDummy::setmask()
{
int mask = 0;
if (initial_integrate_flag) mask |= INITIAL_INTEGRATE;
if (final_integrate_flag) mask |= FINAL_INTEGRATE;
if (pre_exchange_flag) mask |= PRE_EXCHANGE;
if (pre_neighbor_flag) mask |= PRE_NEIGHBOR;
if (pre_force_flag) mask |= PRE_FORCE;
if (post_force_flag) mask |= POST_FORCE;
if (end_of_step_flag) mask |= END_OF_STEP;
return mask;
}