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whitespace cleanup

This commit is contained in:
Axel Kohlmeyer 2016-11-13 23:20:09 -05:00
parent 14c7cf4197
commit 0c25f3b1d6
2 changed files with 10 additions and 10 deletions
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10
src/USER-MISC/fix_grem.cpp
View File

@ -13,7 +13,7 @@
Force scaling fix for gREM.
Cite: http://dx.doi.org/10.1063/1.3432176
Cite: http://dx.doi.org/10.1021/acs.jpcb.5b07614
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
@ -61,7 +61,7 @@ FixGrem::FixGrem(LAMMPS *lmp, int narg, char **arg) :
lambda = force->numeric(FLERR,arg[3]);
eta = force->numeric(FLERR,arg[4]);
h0 = force->numeric(FLERR,arg[5]);
int n = strlen(arg[6])+1;
id_npt = new char[n];
strcpy(id_npt,arg[6]);
@ -101,7 +101,7 @@ FixGrem::FixGrem(LAMMPS *lmp, int narg, char **arg) :
newarg[4] = id;
modify->add_compute(5,newarg);
delete [] newarg;
// create a new compute ke style
// id = fix-ID + ke
@ -249,7 +249,7 @@ void FixGrem::post_force(int vflag)
double **f = atom->f;
int *mask = atom->mask;
int nlocal = atom->nlocal;
double tmpvolume = domain->xprd * domain->yprd * domain->zprd;
double tmppe = pe->compute_scalar();
// potential energy
@ -257,7 +257,7 @@ void FixGrem::post_force(int vflag)
double teffective = lambda+eta*(tmpenthalpy-h0);
scale_grem = tbath/teffective;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
f[i][0] *= scale_grem;

10
src/fix_nh.cpp
View File

@ -53,7 +53,7 @@ enum{ISO,ANISO,TRICLINIC};
FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
rfix(NULL), id_dilate(NULL), irregular(NULL), id_temp(NULL), id_press(NULL),
eta(NULL), eta_dot(NULL), eta_dotdot(NULL),
eta_mass(NULL), etap(NULL), etap_dot(NULL), etap_dotdot(NULL),
eta_mass(NULL), etap(NULL), etap_dot(NULL), etap_dotdot(NULL),
etap_mass(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal fix nvt/npt/nph command");
@ -442,7 +442,7 @@ etap_mass(NULL)
if (!atom->mu_flag)
error->all(FLERR,"Using update dipole flag requires atom attribute mu");
}
if ((tstat_flag && t_period <= 0.0) ||
(p_flag[0] && p_period[0] <= 0.0) ||
(p_flag[1] && p_period[1] <= 0.0) ||
@ -477,9 +477,9 @@ etap_mass(NULL)
// pre_exchange only required if flips can occur due to shape changes
if (flipflag && (p_flag[3] || p_flag[4] || p_flag[5]))
if (flipflag && (p_flag[3] || p_flag[4] || p_flag[5]))
pre_exchange_flag = 1;
if (flipflag && (domain->yz != 0.0 || domain->xz != 0.0 ||
if (flipflag && (domain->yz != 0.0 || domain->xz != 0.0 ||
domain->xy != 0.0))
pre_exchange_flag = 1;
}
@ -732,7 +732,7 @@ void FixNH::setup(int vflag)
t_current = temperature->compute_scalar();
tdof = temperature->dof;
// t_target is needed by NVT and NPT in compute_scalar()
// If no thermostat or using fix nphug,
// t_target must be defined by other means.