diff --git a/doc/src/Commands_fix.rst b/doc/src/Commands_fix.rst index 59631cd2e8..da7415d594 100644 --- a/doc/src/Commands_fix.rst +++ b/doc/src/Commands_fix.rst @@ -55,7 +55,7 @@ OPT. * :doc:`cmap ` * :doc:`colvars ` * :doc:`controller ` - * :doc:`cundamp ` + * :doc:`damping/cundall ` * :doc:`deform (k) ` * :doc:`deposit ` * :doc:`dpd/energy (k) ` diff --git a/doc/src/fix.rst b/doc/src/fix.rst index f100aed18f..c7a2643e5c 100644 --- a/doc/src/fix.rst +++ b/doc/src/fix.rst @@ -198,7 +198,7 @@ accelerated styles exist. * :doc:`cmap ` - enables CMAP cross-terms of the CHARMM force field * :doc:`colvars ` - interface to the collective variables "Colvars" library * :doc:`controller ` - apply control loop feedback mechanism -* :doc:`cundamp ` - Cundall non-viscous damping for granular simulations +* :doc:`damping/cundall ` - Cundall non-viscous damping for granular simulations * :doc:`deform ` - change the simulation box size/shape * :doc:`deposit ` - add new atoms above a surface * :doc:`dpd/energy ` - constant energy dissipative particle dynamics diff --git a/doc/src/fix_cundamp.rst b/doc/src/fix_damping_cundall.rst similarity index 93% rename from doc/src/fix_cundamp.rst rename to doc/src/fix_damping_cundall.rst index 07bc943ed6..9748b6ac73 100644 --- a/doc/src/fix_cundamp.rst +++ b/doc/src/fix_damping_cundall.rst @@ -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 ` 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: diff --git a/src/GRANULAR/fix_cundamp.cpp b/src/GRANULAR/fix_damping_cundall.cpp similarity index 84% rename from src/GRANULAR/fix_cundamp.cpp rename to src/GRANULAR/fix_damping_cundall.cpp index 007111638a..aa42007b43 100644 --- a/src/GRANULAR/fix_cundamp.cpp +++ b/src/GRANULAR/fix_damping_cundall.cpp @@ -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); } diff --git a/src/GRANULAR/fix_cundamp.h b/src/GRANULAR/fix_damping_cundall.h similarity index 83% rename from src/GRANULAR/fix_cundamp.h rename to src/GRANULAR/fix_damping_cundall.h index 6981bbad6e..3d1a3cdd2b 100644 --- a/src/GRANULAR/fix_cundamp.h +++ b/src/GRANULAR/fix_damping_cundall.h @@ -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);