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style_molecule.h
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Created
Sun, Oct 20, 01:53
Size
3 KB
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text/x-c
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Tue, Oct 22, 01:53 (1 d, 23 h)
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rLAMMPS lammps
style_molecule.h
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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.
------------------------------------------------------------------------- */
#ifdef AngleInclude
#include "angle_charmm.h"
#include "angle_cosine.h"
#include "angle_cosine_delta.h"
#include "angle_cosine_squared.h"
#include "angle_harmonic.h"
#include "angle_hybrid.h"
#endif
#ifdef AngleClass
AngleStyle
(
charmm
,
AngleCharmm
)
AngleStyle
(
cosine
,
AngleCosine
)
AngleStyle
(
cosine
/
delta
,
AngleCosineDelta
)
AngleStyle
(
cosine
/
squared
,
AngleCosineSquared
)
AngleStyle
(
harmonic
,
AngleHarmonic
)
AngleStyle
(
hybrid
,
AngleHybrid
)
#endif
#ifdef AtomInclude
#include "atom_vec_angle.h"
#include "atom_vec_bond.h"
#include "atom_vec_full.h"
#include "atom_vec_molecular.h"
#endif
#ifdef AtomClass
AtomStyle
(
angle
,
AtomVecAngle
)
AtomStyle
(
bond
,
AtomVecBond
)
AtomStyle
(
full
,
AtomVecFull
)
AtomStyle
(
molecular
,
AtomVecMolecular
)
#endif
#ifdef BondInclude
#include "bond_fene.h"
#include "bond_fene_expand.h"
#include "bond_harmonic.h"
#include "bond_hybrid.h"
#include "bond_morse.h"
#include "bond_nonlinear.h"
#include "bond_quartic.h"
#endif
#ifdef BondClass
BondStyle
(
fene
,
BondFENE
)
BondStyle
(
fene
/
expand
,
BondFENEExpand
)
BondStyle
(
harmonic
,
BondHarmonic
)
BondStyle
(
hybrid
,
BondHybrid
)
BondStyle
(
morse
,
BondMorse
)
BondStyle
(
nonlinear
,
BondNonlinear
)
BondStyle
(
quartic
,
BondQuartic
)
#endif
#ifdef DihedralInclude
#include "dihedral_charmm.h"
#include "dihedral_harmonic.h"
#include "dihedral_helix.h"
#include "dihedral_hybrid.h"
#include "dihedral_multi_harmonic.h"
#include "dihedral_opls.h"
#endif
#ifdef DihedralClass
DihedralStyle
(
charmm
,
DihedralCharmm
)
DihedralStyle
(
harmonic
,
DihedralHarmonic
)
DihedralStyle
(
helix
,
DihedralHelix
)
DihedralStyle
(
hybrid
,
DihedralHybrid
)
DihedralStyle
(
multi
/
harmonic
,
DihedralMultiHarmonic
)
DihedralStyle
(
opls
,
DihedralOPLS
)
#endif
#ifdef DumpInclude
#include "dump_bond.h"
#endif
#ifdef DumpClass
DumpStyle
(
bond
,
DumpBond
)
#endif
#ifdef FixInclude
#include "fix_bond_break.h"
#include "fix_bond_create.h"
#include "fix_bond_swap.h"
#endif
#ifdef FixClass
FixStyle
(
bond
/
break
,
FixBondBreak
)
FixStyle
(
bond
/
create
,
FixBondCreate
)
FixStyle
(
bond
/
swap
,
FixBondSwap
)
#endif
#ifdef ImproperInclude
#include "improper_cvff.h"
#include "improper_harmonic.h"
#include "improper_hybrid.h"
#endif
#ifdef ImproperClass
ImproperStyle
(
cvff
,
ImproperCvff
)
ImproperStyle
(
harmonic
,
ImproperHarmonic
)
ImproperStyle
(
hybrid
,
ImproperHybrid
)
#endif
#ifdef PairInclude
#include "pair_lj_charmm_coul_charmm.h"
#include "pair_lj_charmm_coul_charmm_implicit.h"
#endif
#ifdef PairClass
PairStyle
(
lj
/
charmm
/
coul
/
charmm
,
PairLJCharmmCoulCharmm
)
PairStyle
(
lj
/
charmm
/
coul
/
charmm
/
implicit
,
PairLJCharmmCoulCharmmImplicit
)
#endif
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