forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
18b20f9c51
commit
2c643b7dc5
|
@ -5,8 +5,6 @@
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if ($1 == 1) then
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cp style_asphere.h ..
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cp atom_vec_ellipsoid.cpp ..
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cp compute_erotate_asphere.cpp ..
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cp compute_temp_asphere.cpp ..
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@ -27,9 +25,6 @@ if ($1 == 1) then
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else if ($1 == 0) then
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rm ../style_asphere.h
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touch ../style_asphere.h
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rm ../atom_vec_ellipsoid.cpp
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rm ../compute_erotate_asphere.cpp
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rm ../compute_temp_asphere.cpp
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@ -48,7 +43,7 @@ else if ($1 == 0) then
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rm ../pair_gayberne.h
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rm ../pair_resquared.h
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if (! -z ../style_gpu.h) then
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if (-e ../pair_gayberne_gpu.h) then
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cd ../GPU; csh -f Install.csh 0; csh -f Install.csh 1
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endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef ATOM_VEC_ELLIPSOID_H
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#define ATOM_VEC_ELLIPSOID_H
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#ifdef ATOM_CLASS
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AtomStyle(ellipsoid,AtomVecEllipsoid)
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#else
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#ifndef LMP_ATOM_VEC_ELLIPSOID_H
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#define LMP_ATOM_VEC_ELLIPSOID_H
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#include "atom_vec.h"
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@ -62,3 +68,4 @@ class AtomVecEllipsoid : public AtomVec {
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}
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#endif
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#endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef COMPUTE_EROTATE_ASPHERE_H
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#define COMPUTE_EROTATE_ASPHERE_H
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#ifdef COMPUTE_CLASS
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ComputeStyle(erotate/asphere,ComputeERotateAsphere)
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#else
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#ifndef LMP_COMPUTE_EROTATE_ASPHERE_H
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#define LMP_COMPUTE_EROTATE_ASPHERE_H
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#include "compute.h"
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@ -35,3 +41,4 @@ class ComputeERotateAsphere : public Compute {
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}
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#endif
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#endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef COMPUTE_TEMP_ASPHERE_H
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#define COMPUTE_TEMP_ASPHERE_H
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#ifdef COMPUTE_CLASS
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ComputeStyle(temp/asphere,ComputeTempAsphere)
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#else
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#ifndef LMP_COMPUTE_TEMP_ASPHERE_H
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#define LMP_COMPUTE_TEMP_ASPHERE_H
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#include "compute.h"
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@ -43,3 +49,4 @@ class ComputeTempAsphere : public Compute {
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}
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#endif
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#endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef FIX_NPT_ASPHERE_H
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#define FIX_NPT_ASPHERE_H
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#ifdef FIX_CLASS
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FixStyle(npt/asphere,FixNPTAsphere)
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#else
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#ifndef LMP_FIX_NPT_ASPHERE_H
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#define LMP_FIX_NPT_ASPHERE_H
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#include "fix_npt.h"
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@ -39,3 +45,4 @@ class FixNPTAsphere : public FixNPT {
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}
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#endif
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#endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef FIX_NVE_ASPHERE_H
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#define FIX_NVE_ASPHERE_H
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#ifdef FIX_CLASS
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FixStyle(nve/asphere,FixNVEAsphere)
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#else
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#ifndef LMP_FIX_NVE_ASPHERE_H
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#define LMP_FIX_NVE_ASPHERE_H
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#include "fix_nve.h"
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@ -37,3 +43,4 @@ class FixNVEAsphere : public FixNVE {
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}
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#endif
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#endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef FIX_NVT_ASPHERE_H
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#define FIX_NVT_ASPHERE_H
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#ifdef FIX_CLASS
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FixStyle(nvt/asphere,FixNVTAsphere)
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#else
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#ifndef LMP_FIX_NVT_ASPHERE_H
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#define LMP_FIX_NVT_ASPHERE_H
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#include "fix_nvt.h"
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@ -38,3 +44,4 @@ class FixNVTAsphere : public FixNVT {
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}
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#endif
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#endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef PAIR_GAYBERNE_H
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#define PAIR_GAYBERNE_H
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#ifdef PAIR_CLASS
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PairStyle(gayberne,PairGayBerne)
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#else
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#ifndef LMP_PAIR_GAYBERNE_H
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#define LMP_PAIR_GAYBERNE_H
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#include "pair.h"
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@ -62,3 +68,4 @@ class PairGayBerne : public Pair {
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}
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#endif
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#endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef PAIR_RESQUARED_H
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#define PAIR_RESQUARED_H
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#ifdef PAIR_CLASS
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PairStyle(resquared,PairRESquared)
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#else
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#ifndef LMP_PAIR_RESQUARED_H
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#define LMP_PAIR_RESQUARED_H
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#include "pair.h"
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}
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#endif
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#endif
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@ -1,52 +0,0 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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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 AtomInclude
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#include "atom_vec_ellipsoid.h"
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#endif
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#ifdef AtomClass
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AtomStyle(ellipsoid,AtomVecEllipsoid)
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# endif
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#ifdef ComputeInclude
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#include "compute_erotate_asphere.h"
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#include "compute_temp_asphere.h"
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#endif
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#ifdef ComputeClass
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ComputeStyle(erotate/asphere,ComputeERotateAsphere)
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ComputeStyle(temp/asphere,ComputeTempAsphere)
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#endif
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#ifdef FixInclude
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#include "fix_nve_asphere.h"
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#include "fix_nvt_asphere.h"
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#include "fix_npt_asphere.h"
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#endif
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#ifdef FixClass
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FixStyle(nve/asphere,FixNVEAsphere)
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FixStyle(nvt/asphere,FixNVTAsphere)
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FixStyle(npt/asphere,FixNPTAsphere)
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#endif
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#ifdef PairInclude
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#include "pair_gayberne.h"
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#include "pair_resquared.h"
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#endif
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#ifdef PairClass
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PairStyle(gayberne,PairGayBerne)
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PairStyle(resquared,PairRESquared)
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#endif
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@ -2,8 +2,6 @@
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if ($1 == 1) then
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cp style_class2.h ..
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cp bond_class2.cpp ..
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cp angle_class2.cpp ..
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cp dihedral_class2.cpp ..
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@ -24,9 +22,6 @@ if ($1 == 1) then
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else if ($1 == 0) then
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rm ../style_class2.h
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touch ../style_class2.h
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rm ../bond_class2.cpp
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rm ../angle_class2.cpp
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rm ../dihedral_class2.cpp
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef ANGLE_CLASS2_H
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#define ANGLE_CLASS2_H
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#ifdef ANGLE_CLASS
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AngleStyle(class2,AngleClass2)
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#else
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#ifndef LMP_ANGLE_CLASS2_H
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#define LMP_ANGLE_CLASS2_H
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#include "stdio.h"
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#include "angle.h"
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@ -42,3 +48,4 @@ class AngleClass2 : public Angle {
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}
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#endif
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#endif
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef BOND_CLASS2_H
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#define BOND_CLASS2_H
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#ifdef BOND_CLASS
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BondStyle(class2,BondClass2)
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#else
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#ifndef LMP_BOND_CLASS2_H
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#define LMP_BOND_CLASS2_H
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#include "stdio.h"
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#include "bond.h"
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@ -39,3 +45,4 @@ class BondClass2 : public Bond {
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}
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#endif
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#endif
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|
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef DIHEDRAL_CLASS2_H
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#define DIHEDRAL_CLASS2_H
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#ifdef DIHEDRAL_CLASS
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DihedralStyle(class2,DihedralClass2)
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#else
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#ifndef LMP_DIHEDRAL_CLASS2_H
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#define LMP_DIHEDRAL_CLASS2_H
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#include "stdio.h"
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#include "dihedral.h"
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@ -48,3 +54,4 @@ class DihedralClass2 : public Dihedral {
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}
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#endif
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#endif
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|
|
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@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef IMPROPER_CLASS2_H
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#define IMPROPER_CLASS2_H
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#ifdef IMPROPER_CLASS
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ImproperStyle(class2,ImproperClass2)
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#else
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#ifndef LMP_IMPROPER_CLASS2_H
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#define LMP_IMPROPER_CLASS2_H
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#include "stdio.h"
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#include "improper.h"
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@ -43,3 +49,4 @@ class ImproperClass2 : public Improper {
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}
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#endif
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#endif
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|
|
|
@ -11,8 +11,14 @@
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef PAIR_LJ_CLASS2_H
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#define PAIR_LJ_CLASS2_H
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#ifdef PAIR_CLASS
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PairStyle(lj/class2,PairLJClass2)
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#else
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#ifndef LMP_PAIR_LJ_CLASS2_H
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#define LMP_PAIR_LJ_CLASS2_H
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#include "pair.h"
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@ -44,3 +50,4 @@ class PairLJClass2 : public Pair {
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}
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#endif
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#endif
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||||
|
|
|
@ -11,8 +11,14 @@
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|||
See the README file in the top-level LAMMPS directory.
|
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------------------------------------------------------------------------- */
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||||
|
||||
#ifndef PAIR_LJ_CLASS2_COUL_CUT_H
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#define PAIR_LJ_CLASS2_COUL_CUT_H
|
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#ifdef PAIR_CLASS
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|
||||
PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut)
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|
||||
#else
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|
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#ifndef LMP_PAIR_LJ_CLASS2_COUL_CUT_H
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#define LMP_PAIR_LJ_CLASS2_COUL_CUT_H
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#include "pair.h"
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||||
|
@ -46,3 +52,4 @@ class PairLJClass2CoulCut : public Pair {
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}
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|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
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#ifndef PAIR_LJ_CLASS2_COUL_LONG_H
|
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#define PAIR_LJ_CLASS2_COUL_LONG_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(lj/class2/coul/long,PairLJClass2CoulLong)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_LJ_CLASS2_COUL_LONG_H
|
||||
#define LMP_PAIR_LJ_CLASS2_COUL_LONG_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -48,3 +54,4 @@ class PairLJClass2CoulLong : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -1,56 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef AngleInclude
|
||||
#include "angle_class2.h"
|
||||
#endif
|
||||
|
||||
#ifdef AngleClass
|
||||
AngleStyle(class2,AngleClass2)
|
||||
#endif
|
||||
|
||||
#ifdef BondInclude
|
||||
#include "bond_class2.h"
|
||||
#endif
|
||||
|
||||
#ifdef BondClass
|
||||
BondStyle(class2,BondClass2)
|
||||
#endif
|
||||
|
||||
#ifdef DihedralInclude
|
||||
#include "dihedral_class2.h"
|
||||
#endif
|
||||
|
||||
#ifdef DihedralClass
|
||||
DihedralStyle(class2,DihedralClass2)
|
||||
#endif
|
||||
|
||||
#ifdef ImproperInclude
|
||||
#include "improper_class2.h"
|
||||
#endif
|
||||
|
||||
#ifdef ImproperClass
|
||||
ImproperStyle(class2,ImproperClass2)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_lj_class2.h"
|
||||
#include "pair_lj_class2_coul_cut.h"
|
||||
#include "pair_lj_class2_coul_long.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(lj/class2,PairLJClass2)
|
||||
PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut)
|
||||
PairStyle(lj/class2/coul/long,PairLJClass2CoulLong)
|
||||
#endif
|
|
@ -2,8 +2,6 @@
|
|||
|
||||
if ($1 == 1) then
|
||||
|
||||
cp style_colloid.h ..
|
||||
|
||||
cp atom_vec_colloid.cpp ..
|
||||
cp fix_wall_colloid.cpp ..
|
||||
cp pair_colloid.cpp ..
|
||||
|
@ -18,9 +16,6 @@ if ($1 == 1) then
|
|||
|
||||
else if ($1 == 0) then
|
||||
|
||||
rm ../style_colloid.h
|
||||
touch ../style_colloid.h
|
||||
|
||||
rm ../atom_vec_colloid.cpp
|
||||
rm ../fix_wall_colloid.cpp
|
||||
rm ../pair_colloid.cpp
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ATOM_VEC_COLLOID_H
|
||||
#define ATOM_VEC_COLLOID_H
|
||||
#ifdef ATOM_CLASS
|
||||
|
||||
AtomStyle(colloid,AtomVecColloid)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ATOM_VEC_COLLOID_H
|
||||
#define LMP_ATOM_VEC_COLLOID_H
|
||||
|
||||
#include "atom_vec.h"
|
||||
|
||||
|
@ -57,3 +63,4 @@ class AtomVecColloid : public AtomVec {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef FIX_WALL_COLLOID_H
|
||||
#define FIX_WALL_COLLOID_H
|
||||
#ifdef FIX_CLASS
|
||||
|
||||
FixStyle(wall/colloid,FixWallColloid)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_FIX_WALL_COLLOID_H
|
||||
#define LMP_FIX_WALL_COLLOID_H
|
||||
|
||||
#include "fix_wall.h"
|
||||
|
||||
|
@ -32,3 +38,4 @@ class FixWallColloid : public FixWall {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_COLLOID_H
|
||||
#define PAIR_COLLOID_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(colloid,PairColloid)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_COLLOID_H
|
||||
#define LMP_PAIR_COLLOID_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -46,3 +52,4 @@ class PairColloid : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_LUBRICATE_H
|
||||
#define PAIR_LUBRICATE_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(lubricate,PairLubricate)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_LUBRICATE_H
|
||||
#define LMP_PAIR_LUBRICATE_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -47,3 +53,4 @@ class PairLubricate : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_YUKAWA_COLLOID_H
|
||||
#define PAIR_YUKAWA_COLLOID_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(yukawa/colloid,PairYukawaColloid)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_YUKAWA_COLLOID_H
|
||||
#define LMP_PAIR_YUKAWA_COLLOID_H
|
||||
|
||||
#include "pair_yukawa.h"
|
||||
|
||||
|
@ -31,3 +37,4 @@ class PairYukawaColloid : public PairYukawa {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -1,40 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef AtomInclude
|
||||
#include "atom_vec_colloid.h"
|
||||
#endif
|
||||
|
||||
#ifdef AtomClass
|
||||
AtomStyle(colloid,AtomVecColloid)
|
||||
#endif
|
||||
|
||||
#ifdef FixInclude
|
||||
#include "fix_wall_colloid.h"
|
||||
#endif
|
||||
|
||||
#ifdef FixClass
|
||||
FixStyle(wall/colloid,FixWallColloid)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_colloid.h"
|
||||
#include "pair_lubricate.h"
|
||||
#include "pair_yukawa_colloid.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(colloid,PairColloid)
|
||||
PairStyle(lubricate,PairLubricate)
|
||||
PairStyle(yukawa/colloid,PairYukawaColloid)
|
||||
#endif
|
|
@ -2,8 +2,6 @@
|
|||
|
||||
if ($1 == 1) then
|
||||
|
||||
cp style_dipole.h ..
|
||||
|
||||
cp atom_vec_dipole.cpp ..
|
||||
cp pair_dipole_cut.cpp ..
|
||||
|
||||
|
@ -12,9 +10,6 @@ if ($1 == 1) then
|
|||
|
||||
else if ($1 == 0) then
|
||||
|
||||
rm ../style_dipole.h
|
||||
touch ../style_dipole.h
|
||||
|
||||
rm ../atom_vec_dipole.cpp
|
||||
rm ../pair_dipole_cut.cpp
|
||||
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ATOM_VEC_DIPOLE_H
|
||||
#define ATOM_VEC_DIPOLE_H
|
||||
#ifdef ATOM_CLASS
|
||||
|
||||
AtomStyle(dipole,AtomVecDipole)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ATOM_VEC_DIPOLE_H
|
||||
#define LMP_ATOM_VEC_DIPOLE_H
|
||||
|
||||
#include "atom_vec.h"
|
||||
|
||||
|
@ -61,3 +67,4 @@ class AtomVecDipole : public AtomVec {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_DIPOLE_CUT_H
|
||||
#define PAIR_DIPOLE_CUT_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(dipole/cut,PairDipoleCut)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_DIPOLE_CUT_H
|
||||
#define LMP_PAIR_DIPOLE_CUT_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -45,3 +51,4 @@ class PairDipoleCut : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -1,28 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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 AtomInclude
|
||||
#include "atom_vec_dipole.h"
|
||||
#endif
|
||||
|
||||
#ifdef AtomClass
|
||||
AtomStyle(dipole,AtomVecDipole)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_dipole_cut.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(dipole/cut,PairDipoleCut)
|
||||
#endif
|
|
@ -2,17 +2,12 @@
|
|||
|
||||
if ($1 == 1) then
|
||||
|
||||
cp style_dsmc.h ..
|
||||
|
||||
cp pair_dsmc.cpp ..
|
||||
|
||||
cp pair_dsmc.h ..
|
||||
|
||||
else if ($1 == 0) then
|
||||
|
||||
rm ../style_dsmc.h
|
||||
touch ../style_dsmc.h
|
||||
|
||||
rm ../pair_dsmc.cpp
|
||||
|
||||
rm ../pair_dsmc.h
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_DSMC_H
|
||||
#define PAIR_DSMC_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(dsmc,PairDSMC)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_DSMC_H
|
||||
#define LMP_PAIR_DSMC_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -100,3 +106,4 @@ class PairDSMC : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -1,20 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_dsmc.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(dsmc,PairDSMC)
|
||||
#endif
|
|
@ -11,13 +11,6 @@ if ($1 == 1) then
|
|||
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(gpu_SYSPATH) |' ../Makefile.package
|
||||
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(gpu_SYSLIB) |' ../Makefile.package
|
||||
|
||||
cp style_gpu.h tmp.h
|
||||
if (! -e ../pair_gayberne.cpp) then
|
||||
grep -v gayberne tmp.h > tmp1.h
|
||||
mv tmp1.h tmp.h
|
||||
endif
|
||||
mv tmp.h ../style_gpu.h
|
||||
|
||||
if (-e ../pair_gayberne.cpp) then
|
||||
cp pair_gayberne_gpu.cpp ..
|
||||
cp pair_gayberne_gpu.h ..
|
||||
|
@ -31,9 +24,6 @@ else if ($1 == 0) then
|
|||
sed -i -e 's/[^ \t]*gpu //' ../Makefile.package
|
||||
sed -i -e 's/[^ \t]*gpu_[^ \t]*) //' ../Makefile.package
|
||||
|
||||
rm ../style_gpu.h
|
||||
touch ../style_gpu.h
|
||||
|
||||
rm ../pair_gayberne_gpu.cpp
|
||||
rm ../pair_lj_cut_gpu.cpp
|
||||
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_GPU_H
|
||||
#define PAIR_GPU_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(gayberne/gpu,PairGayBerneGPU)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_GPU_H
|
||||
#define LMP_PAIR_GPU_H
|
||||
|
||||
#include "pair_gayberne.h"
|
||||
#define MAX_GPU_THREADS 4
|
||||
|
@ -41,3 +47,4 @@ class PairGayBerneGPU : public PairGayBerne {
|
|||
|
||||
}
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_LJ_CUT_GPU_H
|
||||
#define PAIR_LJ_CUT_GPU_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(lj/cut/gpu,PairLJCutGPU)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_LJ_CUT_GPU_H
|
||||
#define LMP_PAIR_LJ_CUT_GPU_H
|
||||
|
||||
#include "pair_lj_cut.h"
|
||||
|
||||
|
@ -38,3 +44,4 @@ class PairLJCutGPU : public PairLJCut {
|
|||
|
||||
}
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -1,41 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef AtomInclude
|
||||
#endif
|
||||
|
||||
#ifdef AtomClass
|
||||
# endif
|
||||
|
||||
#ifdef ComputeInclude
|
||||
#endif
|
||||
|
||||
#ifdef ComputeClass
|
||||
#endif
|
||||
|
||||
#ifdef FixInclude
|
||||
#endif
|
||||
|
||||
#ifdef FixClass
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_lj_cut_gpu.h"
|
||||
#include "pair_gayberne_gpu.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(lj/cut/gpu,PairLJCutGPU)
|
||||
PairStyle(gayberne/gpu,PairGayBerneGPU)
|
||||
#endif
|
||||
|
|
@ -2,8 +2,6 @@
|
|||
|
||||
if ($1 == 1) then
|
||||
|
||||
cp style_granular.h ..
|
||||
|
||||
cp atom_vec_granular.cpp ..
|
||||
cp fix_freeze.cpp ..
|
||||
cp fix_pour.cpp ..
|
||||
|
@ -22,9 +20,6 @@ if ($1 == 1) then
|
|||
|
||||
else if ($1 == 0) then
|
||||
|
||||
rm ../style_granular.h
|
||||
touch ../style_granular.h
|
||||
|
||||
rm ../atom_vec_granular.cpp
|
||||
rm ../fix_freeze.cpp
|
||||
rm ../fix_pour.cpp
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ATOM_VEC_GRANULAR_H
|
||||
#define ATOM_VEC_GRANULAR_H
|
||||
#ifdef ATOM_CLASS
|
||||
|
||||
AtomStyle(granular,AtomVecGranular)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ATOM_VEC_GRANULAR_H
|
||||
#define LMP_ATOM_VEC_GRANULAR_H
|
||||
|
||||
#include "atom_vec.h"
|
||||
|
||||
|
@ -62,3 +68,4 @@ class AtomVecGranular : public AtomVec {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef FIX_FREEZE_H
|
||||
#define FIX_FREEZE_H
|
||||
#ifdef FIX_CLASS
|
||||
|
||||
FixStyle(freeze,FixFreeze)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_FIX_FREEZE_H
|
||||
#define LMP_FIX_FREEZE_H
|
||||
|
||||
#include "fix.h"
|
||||
|
||||
|
@ -36,3 +42,4 @@ class FixFreeze : public Fix {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef FIX_POUR_H
|
||||
#define FIX_POUR_H
|
||||
#ifdef FIX_CLASS
|
||||
|
||||
FixStyle(pour,FixPour)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_FIX_POUR_H
|
||||
#define LMP_FIX_POUR_H
|
||||
|
||||
#include "fix.h"
|
||||
|
||||
|
@ -58,3 +64,4 @@ class FixPour : public Fix {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef FIX_WALL_GRAN_H
|
||||
#define FIX_WALL_GRAN_H
|
||||
#ifdef FIX_CLASS
|
||||
|
||||
FixStyle(wall/gran,FixWallGran)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_FIX_WALL_GRAN_H
|
||||
#define LMP_FIX_WALL_GRAN_H
|
||||
|
||||
#include "fix.h"
|
||||
|
||||
|
@ -65,3 +71,4 @@ class FixWallGran : public Fix {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_GRAN_HERTZ_HISTORY_H
|
||||
#define PAIR_GRAN_HERTZ_HISTORY_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(gran/hertz/history,PairGranHertzHistory)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_GRAN_HERTZ_HISTORY_H
|
||||
#define LMP_PAIR_GRAN_HERTZ_HISTORY_H
|
||||
|
||||
#include "pair_gran_hooke_history.h"
|
||||
|
||||
|
@ -28,3 +34,4 @@ class PairGranHertzHistory : public PairGranHookeHistory {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_GRAN_HOOKE_H
|
||||
#define PAIR_GRAN_HOOKE_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(gran/hooke,PairGranHooke)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_GRAN_HOOKE_H
|
||||
#define LMP_PAIR_GRAN_HOOKE_H
|
||||
|
||||
#include "pair_gran_hooke_history.h"
|
||||
|
||||
|
@ -27,3 +33,4 @@ class PairGranHooke : public PairGranHookeHistory {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_GRAN_HOOKE_HISTORY_H
|
||||
#define PAIR_GRAN_HOOKE_HISTORY_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(gran/hooke/history,PairGranHookeHistory)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_GRAN_HOOKE_HISTORY_H
|
||||
#define LMP_PAIR_GRAN_HOOKE_HISTORY_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -48,3 +54,4 @@ class PairGranHookeHistory : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -1,46 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef AtomInclude
|
||||
#include "atom_vec_granular.h"
|
||||
#endif
|
||||
|
||||
#ifdef AtomClass
|
||||
AtomStyle(granular,AtomVecGranular)
|
||||
# endif
|
||||
|
||||
#ifdef FixInclude
|
||||
#include "fix_freeze.h"
|
||||
#include "fix_pour.h"
|
||||
#include "fix_shear_history.h"
|
||||
#include "fix_wall_gran.h"
|
||||
#endif
|
||||
|
||||
#ifdef FixClass
|
||||
FixStyle(freeze,FixFreeze)
|
||||
FixStyle(pour,FixPour)
|
||||
FixStyle(SHEAR_HISTORY,FixShearHistory)
|
||||
FixStyle(wall/gran,FixWallGran)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_gran_hertz_history.h"
|
||||
#include "pair_gran_hooke.h"
|
||||
#include "pair_gran_hooke_history.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(gran/hertz/history,PairGranHertzHistory)
|
||||
PairStyle(gran/hooke,PairGranHooke)
|
||||
PairStyle(gran/hooke/history,PairGranHookeHistory)
|
||||
#endif
|
|
@ -5,8 +5,6 @@
|
|||
|
||||
if ($1 == 1) then
|
||||
|
||||
cp style_kspace.h ..
|
||||
|
||||
cp ewald.cpp ..
|
||||
cp pppm.cpp ..
|
||||
cp pppm_tip4p.cpp ..
|
||||
|
@ -37,9 +35,6 @@ if ($1 == 1) then
|
|||
|
||||
else if ($1 == 0) then
|
||||
|
||||
rm ../style_kspace.h
|
||||
touch ../style_kspace.h
|
||||
|
||||
rm ../ewald.cpp
|
||||
rm ../pppm.cpp
|
||||
rm ../pppm_tip4p.cpp
|
||||
|
@ -68,7 +63,7 @@ else if ($1 == 0) then
|
|||
rm ../remap.h
|
||||
rm ../remap_wrap.h
|
||||
|
||||
if (! -z ../style_opt.h) then
|
||||
if (-e ../pair_lj_charmm_coul_long_opt.h) then
|
||||
cd ../OPT; csh -f Install.csh 0; csh -f Install.csh 1
|
||||
endif
|
||||
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef EWALD_H
|
||||
#define EWALD_H
|
||||
#ifdef KSPACE_CLASS
|
||||
|
||||
KSpaceStyle(ewald,Ewald)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_EWALD_H
|
||||
#define LMP_EWALD_H
|
||||
|
||||
#include "kspace.h"
|
||||
|
||||
|
@ -53,5 +59,4 @@ class Ewald : public KSpace {
|
|||
}
|
||||
|
||||
#endif
|
||||
|
||||
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,8 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef FFT3D_WRAP_H
|
||||
#define FFT3D_WRAP_H
|
||||
#ifndef LMP_FFT3D_WRAP_H
|
||||
#define LMP_FFT3D_WRAP_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "fft3d.h"
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_BORN_COUL_LONG_H
|
||||
#define PAIR_BORN_COUL_LONG_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(born/coul/long,PairBornCoulLong)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_BORN_COUL_LONG_H
|
||||
#define LMP_PAIR_BORN_COUL_LONG_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -48,3 +54,4 @@ class PairBornCoulLong : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_BUCK_COUL_LONG_H
|
||||
#define PAIR_BUCK_COUL_LONG_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(buck/coul/long,PairBuckCoulLong)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_BUCK_COUL_LONG_H
|
||||
#define LMP_PAIR_BUCK_COUL_LONG_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -48,3 +54,4 @@ class PairBuckCoulLong : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_COUL_LONG_H
|
||||
#define PAIR_COUL_LONG_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(coul/long,PairCoulLong)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_COUL_LONG_H
|
||||
#define LMP_PAIR_COUL_LONG_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -52,3 +58,4 @@ class PairCoulLong : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_LJ_CHARMM_COUL_LONG_H
|
||||
#define PAIR_LJ_CHARMM_COUL_LONG_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(lj/charmm/coul/long,PairLJCharmmCoulLong)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_LJ_CHARMM_COUL_LONG_H
|
||||
#define LMP_PAIR_LJ_CHARMM_COUL_LONG_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -65,3 +71,4 @@ class PairLJCharmmCoulLong : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_LJ_CUT_COUL_LONG_H
|
||||
#define PAIR_LJ_CUT_COUL_LONG_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(lj/cut/coul/long,PairLJCutCoulLong)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_LJ_CUT_COUL_LONG_H
|
||||
#define LMP_PAIR_LJ_CUT_COUL_LONG_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -61,3 +67,4 @@ class PairLJCutCoulLong : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_LJ_CUT_COUL_LONG_TIP4P_H
|
||||
#define PAIR_LJ_CUT_COUL_LONG_TIP4P_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(lj/cut/coul/long/tip4p,PairLJCutCoulLongTIP4P)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_LJ_CUT_COUL_LONG_TIP4P_H
|
||||
#define LMP_PAIR_LJ_CUT_COUL_LONG_TIP4P_H
|
||||
|
||||
#include "pair_lj_cut_coul_long.h"
|
||||
|
||||
|
@ -40,3 +46,4 @@ class PairLJCutCoulLongTIP4P : public PairLJCutCoulLong {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PPPM_H
|
||||
#define PPPM_H
|
||||
#ifdef KSPACE_CLASS
|
||||
|
||||
KSpaceStyle(pppm,PPPM)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PPPM_H
|
||||
#define LMP_PPPM_H
|
||||
|
||||
#include "kspace.h"
|
||||
|
||||
|
@ -96,3 +102,4 @@ class PPPM : public KSpace {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PPPM_TIP4P_H
|
||||
#define PPPM_TIP4P_H
|
||||
#ifdef KSPACE_CLASS
|
||||
|
||||
KSpaceStyle(pppm/tip4p,PPPMTIP4P)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PPPM_TIP4P_H
|
||||
#define LMP_PPPM_TIP4P_H
|
||||
|
||||
#include "pppm.h"
|
||||
|
||||
|
@ -33,3 +39,4 @@ class PPPMTIP4P : public PPPM {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,8 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef REMAP_WRAP_H
|
||||
#define REMAP_WRAP_H
|
||||
#ifndef LMP_REMAP_WRAP_H
|
||||
#define LMP_REMAP_WRAP_H
|
||||
|
||||
#include "pointers.h"
|
||||
#include "remap.h"
|
||||
|
|
|
@ -1,42 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef KSpaceInclude
|
||||
#include "ewald.h"
|
||||
#include "pppm.h"
|
||||
#include "pppm_tip4p.h"
|
||||
#endif
|
||||
|
||||
#ifdef KSpaceClass
|
||||
KSpaceStyle(ewald,Ewald)
|
||||
KSpaceStyle(pppm,PPPM)
|
||||
KSpaceStyle(pppm/tip4p,PPPMTIP4P)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_born_coul_long.h"
|
||||
#include "pair_buck_coul_long.h"
|
||||
#include "pair_coul_long.h"
|
||||
#include "pair_lj_cut_coul_long.h"
|
||||
#include "pair_lj_cut_coul_long_tip4p.h"
|
||||
#include "pair_lj_charmm_coul_long.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(born/coul/long,PairBornCoulLong)
|
||||
PairStyle(buck/coul/long,PairBuckCoulLong)
|
||||
PairStyle(coul/long,PairCoulLong)
|
||||
PairStyle(lj/cut/coul/long,PairLJCutCoulLong)
|
||||
PairStyle(lj/cut/coul/long/tip4p,PairLJCutCoulLongTIP4P)
|
||||
PairStyle(lj/charmm/coul/long,PairLJCharmmCoulLong)
|
||||
#endif
|
|
@ -5,8 +5,6 @@
|
|||
|
||||
if ($1 == 1) then
|
||||
|
||||
cp style_manybody.h ..
|
||||
|
||||
cp pair_airebo.cpp ..
|
||||
cp pair_eam.cpp ..
|
||||
cp pair_eam_alloy.cpp ..
|
||||
|
@ -25,9 +23,6 @@ if ($1 == 1) then
|
|||
|
||||
else if ($1 == 0) then
|
||||
|
||||
rm ../style_manybody.h
|
||||
touch ../style_manybody.h
|
||||
|
||||
rm ../pair_airebo.cpp
|
||||
rm ../pair_eam.cpp
|
||||
rm ../pair_eam_alloy.cpp
|
||||
|
@ -44,7 +39,7 @@ else if ($1 == 0) then
|
|||
rm ../pair_tersoff.h
|
||||
rm ../pair_tersoff_zbl.h
|
||||
|
||||
if (! -z ../style_opt.h) then
|
||||
if (-e ../pair_eam_opt.h) then
|
||||
cd ../OPT; csh -f Install.csh 0; csh -f Install.csh 1
|
||||
endif
|
||||
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_AIREBO_H
|
||||
#define PAIR_AIREBO_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(airebo,PairAIREBO)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_AIREBO_H
|
||||
#define LMP_PAIR_AIREBO_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -111,3 +117,4 @@ class PairAIREBO : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_EAM_H
|
||||
#define PAIR_EAM_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(eam,PairEAM)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_EAM_H
|
||||
#define LMP_PAIR_EAM_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -100,3 +106,4 @@ class PairEAM : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_EAM_ALLOY_H
|
||||
#define PAIR_EAM_ALLOY_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(eam/alloy,PairEAMAlloy)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_EAM_ALLOY_H
|
||||
#define LMP_PAIR_EAM_ALLOY_H
|
||||
|
||||
#include "pair_eam.h"
|
||||
|
||||
|
@ -34,3 +40,4 @@ class PairEAMAlloy : virtual public PairEAM {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_EAM_FS_H
|
||||
#define PAIR_EAM_FS_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(eam/fs,PairEAMFS)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_EAM_FS_H
|
||||
#define LMP_PAIR_EAM_FS_H
|
||||
|
||||
#include "pair_eam.h"
|
||||
|
||||
|
@ -34,3 +40,4 @@ class PairEAMFS : virtual public PairEAM {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_SW_H
|
||||
#define PAIR_SW_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(sw,PairSW)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_SW_H
|
||||
#define LMP_PAIR_SW_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -61,3 +67,4 @@ class PairSW : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_TERSOFF_H
|
||||
#define PAIR_TERSOFF_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(tersoff,PairTersoff)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_TERSOFF_H
|
||||
#define LMP_PAIR_TERSOFF_H
|
||||
|
||||
#include "pair.h"
|
||||
|
||||
|
@ -94,3 +100,4 @@ class PairTersoff : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_TERSOFF_ZBL_H
|
||||
#define PAIR_TERSOFF_ZBL_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(tersoff/zbl,PairTersoffZBL)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_TERSOFF_ZBL_H
|
||||
#define LMP_PAIR_TERSOFF_ZBL_H
|
||||
|
||||
#include "pair_tersoff.h"
|
||||
|
||||
|
@ -41,3 +47,4 @@ class PairTersoffZBL : public PairTersoff {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -1,32 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_airebo.h"
|
||||
#include "pair_eam.h"
|
||||
#include "pair_eam_alloy.h"
|
||||
#include "pair_eam_fs.h"
|
||||
#include "pair_sw.h"
|
||||
#include "pair_tersoff.h"
|
||||
#include "pair_tersoff_zbl.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(airebo,PairAIREBO)
|
||||
PairStyle(eam,PairEAM)
|
||||
PairStyle(eam/alloy,PairEAMAlloy)
|
||||
PairStyle(eam/fs,PairEAMFS)
|
||||
PairStyle(sw,PairSW)
|
||||
PairStyle(tersoff,PairTersoff)
|
||||
PairStyle(tersoff/zbl,PairTersoffZBL)
|
||||
#endif
|
|
@ -11,8 +11,6 @@ if ($1 == 1) then
|
|||
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(meam_SYSPATH) |' ../Makefile.package
|
||||
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(meam_SYSLIB) |' ../Makefile.package
|
||||
|
||||
cp style_meam.h ..
|
||||
|
||||
cp pair_meam.cpp ..
|
||||
|
||||
cp pair_meam.h ..
|
||||
|
@ -22,9 +20,6 @@ else if ($1 == 0) then
|
|||
sed -i -e 's/[^ \t]*meam //' ../Makefile.package
|
||||
sed -i -e 's/[^ \t]*meam_[^ \t]*) //' ../Makefile.package
|
||||
|
||||
rm ../style_meam.h
|
||||
touch ../style_meam.h
|
||||
|
||||
rm ../pair_meam.cpp
|
||||
|
||||
rm ../pair_meam.h
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef PAIR_MEAM_H
|
||||
#define PAIR_MEAM_H
|
||||
#ifdef PAIR_CLASS
|
||||
|
||||
PairStyle(meam,PairMEAM)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_PAIR_MEAM_H
|
||||
#define LMP_PAIR_MEAM_H
|
||||
|
||||
extern "C" {
|
||||
void meam_setup_global_(int *, int *, double *, int *, double *, double *,
|
||||
|
@ -95,3 +101,4 @@ class PairMEAM : public Pair {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -1,20 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_meam.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(meam,PairMEAM)
|
||||
#endif
|
|
@ -5,8 +5,6 @@
|
|||
|
||||
if ($1 == 1) then
|
||||
|
||||
cp style_molecule.h ..
|
||||
|
||||
cp angle.cpp ..
|
||||
cp angle_charmm.cpp ..
|
||||
cp angle_cosine.cpp ..
|
||||
|
@ -85,9 +83,6 @@ if ($1 == 1) then
|
|||
|
||||
else if ($1 == 0) then
|
||||
|
||||
rm ../style_molecule.h
|
||||
touch ../style_molecule.h
|
||||
|
||||
rm ../angle.cpp
|
||||
rm ../angle_charmm.cpp
|
||||
rm ../angle_cosine.cpp
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ANGLE_CHARMM_H
|
||||
#define ANGLE_CHARMM_H
|
||||
#ifdef ANGLE_CLASS
|
||||
|
||||
AngleStyle(charmm,AngleCharmm)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ANGLE_CHARMM_H
|
||||
#define LMP_ANGLE_CHARMM_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "angle.h"
|
||||
|
@ -39,3 +45,4 @@ class AngleCharmm : public Angle {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ANGLE_COSINE_H
|
||||
#define ANGLE_COSINE_H
|
||||
#ifdef ANGLE_CLASS
|
||||
|
||||
AngleStyle(cosine,AngleCosine)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ANGLE_COSINE_H
|
||||
#define LMP_ANGLE_COSINE_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "angle.h"
|
||||
|
@ -39,3 +45,4 @@ class AngleCosine : public Angle {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -8,8 +8,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ANGLE_COSINE_DELTA_H
|
||||
#define ANGLE_COSINE_DELTA_H
|
||||
#ifdef ANGLE_CLASS
|
||||
|
||||
AngleStyle(cosine/delta,AngleCosineDelta)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ANGLE_COSINE_DELTA_H
|
||||
#define LMP_ANGLE_COSINE_DELTA_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "angle_cosine_squared.h"
|
||||
|
@ -26,3 +32,4 @@ class AngleCosineDelta : public AngleCosineSquared {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ANGLE_COSINE_SQUARED_H
|
||||
#define ANGLE_COSINE_SQUARED_H
|
||||
#ifdef ANGLE_CLASS
|
||||
|
||||
AngleStyle(cosine/squared,AngleCosineSquared)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ANGLE_COSINE_SQUARED_H
|
||||
#define LMP_ANGLE_COSINE_SQUARED_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "angle.h"
|
||||
|
@ -39,3 +45,4 @@ class AngleCosineSquared : public Angle {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ANGLE_HARMONIC_H
|
||||
#define ANGLE_HARMONIC_H
|
||||
#ifdef ANGLE_CLASS
|
||||
|
||||
AngleStyle(harmonic,AngleHarmonic)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ANGLE_HARMONIC_H
|
||||
#define LMP_ANGLE_HARMONIC_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "angle.h"
|
||||
|
@ -39,3 +45,4 @@ class AngleHarmonic : public Angle {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ANGLE_HYBRID_H
|
||||
#define ANGLE_HYBRID_H
|
||||
#ifdef ANGLE_CLASS
|
||||
|
||||
AngleStyle(hybrid,AngleHybrid)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ANGLE_HYBRID_H
|
||||
#define LMP_ANGLE_HYBRID_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "angle.h"
|
||||
|
@ -48,3 +54,4 @@ class AngleHybrid : public Angle {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ANGLE_TABLE_H
|
||||
#define ANGLE_TABLE_H
|
||||
#ifdef ANGLE_CLASS
|
||||
|
||||
AngleStyle(table,AngleTable)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ANGLE_TABLE_H
|
||||
#define LMP_ANGLE_TABLE_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "angle.h"
|
||||
|
@ -67,3 +73,4 @@ class AngleTable : public Angle {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ATOM_VEC_ANGLE_H
|
||||
#define ATOM_VEC_ANGLE_H
|
||||
#ifdef ATOM_CLASS
|
||||
|
||||
AtomStyle(angle,AtomVecAngle)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ATOM_VEC_ANGLE_H
|
||||
#define LMP_ATOM_VEC_ANGLE_H
|
||||
|
||||
#include "atom_vec.h"
|
||||
|
||||
|
@ -61,3 +67,4 @@ class AtomVecAngle : public AtomVec {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ATOM_VEC_BOND_H
|
||||
#define ATOM_VEC_BOND_H
|
||||
#ifdef ATOM_CLASS
|
||||
|
||||
AtomStyle(bond,AtomVecBond)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ATOM_VEC_BOND_H
|
||||
#define LMP_ATOM_VEC_BOND_H
|
||||
|
||||
#include "atom_vec.h"
|
||||
|
||||
|
@ -58,3 +64,4 @@ class AtomVecBond : public AtomVec {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ATOM_VEC_FULL_H
|
||||
#define ATOM_VEC_FULL_H
|
||||
#ifdef ATOM_CLASS
|
||||
|
||||
AtomStyle(full,AtomVecFull)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ATOM_VEC_FULL_H
|
||||
#define LMP_ATOM_VEC_FULL_H
|
||||
|
||||
#include "atom_vec.h"
|
||||
|
||||
|
@ -68,3 +74,4 @@ class AtomVecFull : public AtomVec {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef ATOM_VEC_MOLECULAR_H
|
||||
#define ATOM_VEC_MOLECULAR_H
|
||||
#ifdef ATOM_CLASS
|
||||
|
||||
AtomStyle(molecular,AtomVecMolecular)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_ATOM_VEC_MOLECULAR_H
|
||||
#define LMP_ATOM_VEC_MOLECULAR_H
|
||||
|
||||
#include "atom_vec.h"
|
||||
|
||||
|
@ -67,3 +73,4 @@ class AtomVecMolecular : public AtomVec {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef BOND_FENE_H
|
||||
#define BOND_FENE_H
|
||||
#ifdef BOND_CLASS
|
||||
|
||||
BondStyle(fene,BondFENE)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_BOND_FENE_H
|
||||
#define LMP_BOND_FENE_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "bond.h"
|
||||
|
@ -41,3 +47,4 @@ class BondFENE : public Bond {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef BOND_FENE_EXPAND_H
|
||||
#define BOND_FENE_EXPAND_H
|
||||
#ifdef BOND_CLASS
|
||||
|
||||
BondStyle(fene/expand,BondFENEExpand)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_BOND_FENE_EXPAND_H
|
||||
#define LMP_BOND_FENE_EXPAND_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "bond.h"
|
||||
|
@ -41,3 +47,4 @@ class BondFENEExpand : public Bond {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef BOND_HARMONIC_H
|
||||
#define BOND_HARMONIC_H
|
||||
#ifdef BOND_CLASS
|
||||
|
||||
BondStyle(harmonic,BondHarmonic)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_BOND_HARMONIC_H
|
||||
#define LMP_BOND_HARMONIC_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "bond.h"
|
||||
|
@ -39,3 +45,4 @@ class BondHarmonic : public Bond {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef BOND_MORSE_H
|
||||
#define BOND_MORSE_H
|
||||
#ifdef BOND_CLASS
|
||||
|
||||
BondStyle(morse,BondMorse)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_BOND_MORSE_H
|
||||
#define LMP_BOND_MORSE_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "bond.h"
|
||||
|
@ -39,3 +45,4 @@ class BondMorse : public Bond {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef BOND_NONLINEAR_H
|
||||
#define BOND_NONLINEAR_H
|
||||
#ifdef BOND_CLASS
|
||||
|
||||
BondStyle(nonlinear,BondNonlinear)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_BOND_NONLINEAR_H
|
||||
#define LMP_BOND_NONLINEAR_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "bond.h"
|
||||
|
@ -39,3 +45,4 @@ class BondNonlinear : public Bond {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------ */
|
||||
|
||||
#ifndef BOND_QUARTIC_H
|
||||
#define BOND_QUARTIC_H
|
||||
#ifdef BOND_CLASS
|
||||
|
||||
BondStyle(quartic,BondQuartic)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_BOND_QUARTIC_H
|
||||
#define LMP_BOND_QUARTIC_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "bond.h"
|
||||
|
@ -41,3 +47,4 @@ class BondQuartic : public Bond {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef BOND_TABLE_H
|
||||
#define BOND_TABLE_H
|
||||
#ifdef BOND_CLASS
|
||||
|
||||
BondStyle(table,BondTable)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_BOND_TABLE_H
|
||||
#define LMP_BOND_TABLE_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "bond.h"
|
||||
|
@ -67,3 +73,4 @@ class BondTable : public Bond {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef DIHEDRAL_CHARMM_H
|
||||
#define DIHEDRAL_CHARMM_H
|
||||
#ifdef DIHEDRAL_CLASS
|
||||
|
||||
DihedralStyle(charmm,DihedralCharmm)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_DIHEDRAL_CHARMM_H
|
||||
#define LMP_DIHEDRAL_CHARMM_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "dihedral.h"
|
||||
|
@ -41,3 +47,4 @@ class DihedralCharmm : public Dihedral {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef DIHEDRAL_HARMONIC_H
|
||||
#define DIHEDRAL_HARMONIC_H
|
||||
#ifdef DIHEDRAL_CLASS
|
||||
|
||||
DihedralStyle(harmonic,DihedralHarmonic)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_DIHEDRAL_HARMONIC_H
|
||||
#define LMP_DIHEDRAL_HARMONIC_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "dihedral.h"
|
||||
|
@ -38,3 +44,4 @@ class DihedralHarmonic : public Dihedral {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef DIHEDRAL_HELIX_H
|
||||
#define DIHEDRAL_HELIX_H
|
||||
#ifdef DIHEDRAL_CLASS
|
||||
|
||||
DihedralStyle(helix,DihedralHelix)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_DIHEDRAL_HELIX_H
|
||||
#define LMP_DIHEDRAL_HELIX_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "dihedral.h"
|
||||
|
@ -37,3 +43,4 @@ class DihedralHelix : public Dihedral {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef DIHEDRAL_HYBRID_H
|
||||
#define DIHEDRAL_HYBRID_H
|
||||
#ifdef DIHEDRAL_CLASS
|
||||
|
||||
DihedralStyle(hybrid,DihedralHybrid)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_DIHEDRAL_HYBRID_H
|
||||
#define LMP_DIHEDRAL_HYBRID_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "dihedral.h"
|
||||
|
@ -47,3 +53,4 @@ class DihedralHybrid : public Dihedral {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef DIHEDRAL_MULTI_HARMONIC_H
|
||||
#define DIHEDRAL_MULTI_HARMONIC_H
|
||||
#ifdef DIHEDRAL_CLASS
|
||||
|
||||
DihedralStyle(multi/harmonic,DihedralMultiHarmonic)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_DIHEDRAL_MULTI_HARMONIC_H
|
||||
#define LMP_DIHEDRAL_MULTI_HARMONIC_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "dihedral.h"
|
||||
|
@ -37,3 +43,4 @@ class DihedralMultiHarmonic : public Dihedral {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef DIHEDRAL_OPLS_H
|
||||
#define DIHEDRAL_OPLS_H
|
||||
#ifdef DIHEDRAL_CLASS
|
||||
|
||||
DihedralStyle(opls,DihedralOPLS)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_DIHEDRAL_OPLS_H
|
||||
#define LMP_DIHEDRAL_OPLS_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "dihedral.h"
|
||||
|
@ -37,3 +43,4 @@ class DihedralOPLS : public Dihedral {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef FIX_BOND_BREAK_H
|
||||
#define FIX_BOND_BREAK_H
|
||||
#ifdef FIX_CLASS
|
||||
|
||||
FixStyle(bond/break,FixBondBreak)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_FIX_BOND_BREAK_H
|
||||
#define LMP_FIX_BOND_BREAK_H
|
||||
|
||||
#include "fix.h"
|
||||
|
||||
|
@ -51,3 +57,4 @@ class FixBondBreak : public Fix {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef FIX_BOND_CREATE_H
|
||||
#define FIX_BOND_CREATE_H
|
||||
#ifdef FIX_CLASS
|
||||
|
||||
FixStyle(bond/create,FixBondCreate)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_FIX_BOND_CREATE_H
|
||||
#define LMP_FIX_BOND_CREATE_H
|
||||
|
||||
#include "fix.h"
|
||||
|
||||
|
@ -65,3 +71,4 @@ class FixBondCreate : public Fix {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef FIX_BONDSWAP_H
|
||||
#define FIX_BONDSWAP_H
|
||||
#ifdef FIX_CLASS
|
||||
|
||||
FixStyle(bond/swap,FixBondSwap)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_FIX_BONDSWAP_H
|
||||
#define LMP_FIX_BONDSWAP_H
|
||||
|
||||
#include "fix.h"
|
||||
#include "pair.h"
|
||||
|
@ -54,3 +60,4 @@ class FixBondSwap : public Fix {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
|
@ -11,8 +11,14 @@
|
|||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifndef IMPROPER_CVFF_H
|
||||
#define IMPROPER_CVFF_H
|
||||
#ifdef IMPROPER_CLASS
|
||||
|
||||
ImproperStyle(cvff,ImproperCvff)
|
||||
|
||||
#else
|
||||
|
||||
#ifndef LMP_IMPROPER_CVFF_H
|
||||
#define LMP_IMPROPER_CVFF_H
|
||||
|
||||
#include "stdio.h"
|
||||
#include "improper.h"
|
||||
|
@ -38,3 +44,4 @@ class ImproperCvff : public Improper {
|
|||
}
|
||||
|
||||
#endif
|
||||
#endif
|
||||
|
|
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue