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fix_npt_uef.cpp
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Sat, Sep 28, 03:15
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Mon, Sep 30, 03:15 (2 d)
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rLAMMPS lammps
fix_npt_uef.cpp
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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.
Contributing author: David Nicholson (MIT)
------------------------------------------------------------------------- */
#include "string.h"
#include "fix_npt_uef.h"
#include "modify.h"
#include "error.h"
using
namespace
LAMMPS_NS
;
using
namespace
FixConst
;
FixNPTUef
::
FixNPTUef
(
LAMMPS
*
lmp
,
int
narg
,
char
**
arg
)
:
FixNHUef
(
lmp
,
narg
,
arg
)
{
if
(
!
tstat_flag
)
error
->
all
(
FLERR
,
"Temperature control must be used with fix npt/uef"
);
if
(
!
pstat_flag
)
error
->
all
(
FLERR
,
"Pressure control must be used with fix npt/uef"
);
}
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