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rename cundamp to damping/cundall

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This commit is contained in:
Jibril B. Coulibaly
2022-03-22 09:01:53 -05:00
parent 643511294e
commit d3ba1af89c
5 changed files with 32 additions and 30 deletions
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2
doc/src/Commands_fix.rst
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@ -55,7 +55,7 @@ OPT.
* :doc:`cmap <fix_cmap>`
* :doc:`colvars <fix_colvars>`
* :doc:`controller <fix_controller>`
* :doc:`cundamp <fix_cundamp>`
* :doc:`damping/cundall <fix_damping_cundall>`
* :doc:`deform (k) <fix_deform>`
* :doc:`deposit <fix_deposit>`
* :doc:`dpd/energy (k) <fix_dpd_energy>`

2
doc/src/fix.rst
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@ -198,7 +198,7 @@ accelerated styles exist.
* :doc:`cmap <fix_cmap>` - enables CMAP cross-terms of the CHARMM force field
* :doc:`colvars <fix_colvars>` - interface to the collective variables "Colvars" library
* :doc:`controller <fix_controller>` - apply control loop feedback mechanism
* :doc:`cundamp <fix_cundamp>` - Cundall non-viscous damping for granular simulations
* :doc:`damping/cundall <fix_damping_cundall>` - Cundall non-viscous damping for granular simulations
* :doc:`deform <fix_deform>` - change the simulation box size/shape
* :doc:`deposit <fix_deposit>` - add new atoms above a surface
* :doc:`dpd/energy <fix_dpd_energy>` - constant energy dissipative particle dynamics

16
doc/src/fix_cundamp.rst → doc/src/fix_damping_cundall.rst
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@ -1,17 +1,17 @@
.. index:: fix cundamp
.. index:: fix damping/cundall
fix cundamp command
===================
fix damping/cundall command
===========================
Syntax
""""""
.. parsed-literal::
fix ID group-ID cundamp gamma_l gamma_a keyword values ...
fix ID group-ID damping/cundall gamma_l gamma_a keyword values ...
* ID, group-ID are documented in :doc:`fix <fix>` command
* cundamp = style name of this fix command
* damping/cundall = style name of this fix command
* gamma_l = linear damping coefficient (dimensionless)
* gamma_a = angular damping coefficient (dimensionless)
* zero or more keyword/value pairs may be appended
@ -28,8 +28,8 @@ Examples
.. code-block:: LAMMPS
fix 1 all cundamp 0.8 0.8
fix 1 all cundamp 0.8 0.5 scale 3 2.5
fix 1 all damping/cundall 0.8 0.8
fix 1 all damping/cundall 0.8 0.5 scale 3 2.5
Description
"""""""""""
@ -115,6 +115,8 @@ Default
none
References
""""""""""
.. _Cundall1987:

30
src/GRANULAR/fix_cundamp.cpp → src/GRANULAR/fix_damping_cundall.cpp
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@ -12,7 +12,7 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "fix_cundamp.h"
#include "fix_damping_cundall.h"
#include "atom.h"
#include "error.h"
@ -26,16 +26,16 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixCundamp::FixCundamp(LAMMPS *lmp, int narg, char **arg) :
FixDampingCundall::FixDampingCundall(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
gamma_lin(nullptr),gamma_ang(nullptr)
{
dynamic_group_allow = 1;
if (!atom->sphere_flag)
error->all(FLERR,"Fix cundamp requires atom style sphere");
error->all(FLERR,"Fix damping/cundall requires atom style sphere");
if (narg < 5) error->all(FLERR,"Illegal fix cundamp command");
if (narg < 5) error->all(FLERR,"Illegal fix damping/cundall command");
double gamma_lin_one = utils::numeric(FLERR,arg[3],false,lmp);
double gamma_ang_one = utils::numeric(FLERR,arg[4],false,lmp);
@ -51,15 +51,15 @@ FixCundamp::FixCundamp(LAMMPS *lmp, int narg, char **arg) :
int iarg = 5;
while (iarg < narg) {
if (strcmp(arg[iarg],"scale") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal fix cundamp command");
if (iarg+3 > narg) error->all(FLERR,"Illegal fix damping/cundall command");
int itype = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
double scale = utils::numeric(FLERR,arg[iarg+2],false,lmp);
if (itype <= 0 || itype > atom->ntypes)
error->all(FLERR,"Illegal fix cundamp command");
error->all(FLERR,"Illegal fix damping/cundall command");
gamma_lin[itype] = gamma_lin_one * scale;
gamma_ang[itype] = gamma_ang_one * scale;
iarg += 3;
} else error->all(FLERR,"Illegal fix cundamp command");
} else error->all(FLERR,"Illegal fix damping/cundall command");
}
respa_level_support = 1;
@ -68,7 +68,7 @@ FixCundamp::FixCundamp(LAMMPS *lmp, int narg, char **arg) :
/* ---------------------------------------------------------------------- */
FixCundamp::~FixCundamp()
FixDampingCundall::~FixDampingCundall()
{
delete [] gamma_lin;
delete [] gamma_ang;
@ -76,7 +76,7 @@ FixCundamp::~FixCundamp()
/* ---------------------------------------------------------------------- */
int FixCundamp::setmask()
int FixDampingCundall::setmask()
{
int mask = 0;
mask |= POST_FORCE;
@ -87,7 +87,7 @@ int FixCundamp::setmask()
/* ---------------------------------------------------------------------- */
void FixCundamp::init()
void FixDampingCundall::init()
{
int max_respa = 0;
@ -99,7 +99,7 @@ void FixCundamp::init()
/* ---------------------------------------------------------------------- */
void FixCundamp::setup(int vflag)
void FixDampingCundall::setup(int vflag)
{
if (utils::strmatch(update->integrate_style,"^verlet"))
post_force(vflag);
@ -112,14 +112,14 @@ void FixCundamp::setup(int vflag)
/* ---------------------------------------------------------------------- */
void FixCundamp::min_setup(int vflag)
void FixDampingCundall::min_setup(int vflag)
{
post_force(vflag);
}
/* ---------------------------------------------------------------------- */
void FixCundamp::post_force(int /*vflag*/)
void FixDampingCundall::post_force(int /*vflag*/)
{
// apply damping force/torque to finite-size atoms in group
// add a fraction of the current force/torque if work is negative
@ -165,14 +165,14 @@ void FixCundamp::post_force(int /*vflag*/)
/* ---------------------------------------------------------------------- */
void FixCundamp::post_force_respa(int vflag, int ilevel, int /*iloop*/)
void FixDampingCundall::post_force_respa(int vflag, int ilevel, int /*iloop*/)
{
if (ilevel == ilevel_respa) post_force(vflag);
}
/* ---------------------------------------------------------------------- */
void FixCundamp::min_post_force(int vflag)
void FixDampingCundall::min_post_force(int vflag)
{
post_force(vflag);
}

12
src/GRANULAR/fix_cundamp.h → src/GRANULAR/fix_damping_cundall.h
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@ -13,21 +13,21 @@
#ifdef FIX_CLASS
FixStyle(cundamp,FixCundamp)
FixStyle(damping/cundall,FixDampingCundall)
#else
#ifndef LMP_FIX_CUNDAMP_H
#define LMP_FIX_CUNDAMP_H
#ifndef LMP_FIX_DAMPING_CUNDALL_H
#define LMP_FIX_DAMPING_CUNDALL_H
#include "fix.h"
namespace LAMMPS_NS {
class FixCundamp : public Fix {
class FixDampingCundall : public Fix {
public:
FixCundamp(class LAMMPS *, int, char **);
virtual ~FixCundamp();
FixDampingCundall(class LAMMPS *, int, char **);
virtual ~FixDampingCundall();
int setmask();
void init();
void setup(int);