From e3b80e734a5e77c25d5a185460a4b4544fdced4d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 2 Oct 2018 12:37:13 -0400
Subject: [PATCH] remove trailing whitespace
---
src/USER-MISC/compute_pressure_cylinder.cpp | 50 ++++++++++-----------
1 file changed, 25 insertions(+), 25 deletions(-)
diff --git a/src/USER-MISC/compute_pressure_cylinder.cpp b/src/USER-MISC/compute_pressure_cylinder.cpp
index 04767eb4c3..03331a1b98 100644
--- a/src/USER-MISC/compute_pressure_cylinder.cpp
+++ b/src/USER-MISC/compute_pressure_cylinder.cpp
@@ -40,16 +40,16 @@ static const char cite_compute_pressure_cylinder[] =
" volume = 149,\n"
" pages = {084109}\n"
"}\n\n";
-
+
/*+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
- Calculate the configurational components of the pressure tensor in
+ Calculate the configurational components of the pressure tensor in
cylindrical geometry, according to the formulation of Addington et al. (2018)
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
ComputePressureCyl::ComputePressureCyl(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg),
R(NULL), Rinv(NULL), R2(NULL), R2kin(NULL), invVbin(NULL),
- density_temp(NULL), density_all(NULL), tangent(NULL), ephi_x(NULL),
+ density_temp(NULL), density_all(NULL), tangent(NULL), ephi_x(NULL),
ephi_y(NULL), Pr_temp(NULL), Pr_all(NULL), Pz_temp(NULL), Pz_all(NULL),
Pphi_temp(NULL), Pphi_all(NULL), PrAinv(NULL), PzAinv(NULL), binz(NULL)
{
@@ -60,8 +60,8 @@ ComputePressureCyl::ComputePressureCyl(LAMMPS *lmp, int narg, char **arg) :
zhi=force->numeric(FLERR,arg[4]);
Rmax=force->numeric(FLERR,arg[5]);
bin_width=force->numeric(FLERR,arg[6]);
-
- if ((bin_width <= 0.0) || (bin_width < Rmax))
+
+ if ((bin_width <= 0.0) || (bin_width < Rmax))
error->all(FLERR,"Illegal compute pressure/cylinder command");
if ((zhi < zlo) || ((zhi-zlo) < bin_width))
error->all(FLERR,"Illegal compute pressure/cylinder command");
@@ -73,8 +73,8 @@ ComputePressureCyl::ComputePressureCyl(LAMMPS *lmp, int narg, char **arg) :
// NOTE: at 2^22 = 4.2M bins, we will be close to exhausting allocatable
// memory on a 32-bit environment. so we use this as an upper limit.
-
- if ((nbins < 1) || (nzbins < 1) || (nbins > 2>>22) || (nbins > 2>>22))
+
+ if ((nbins < 1) || (nzbins < 1) || (nbins > 2>>22) || (nbins > 2>>22))
error->all(FLERR,"Illegal compute pressure/cylinder command");
array_flag=1;
@@ -109,7 +109,7 @@ ComputePressureCyl::ComputePressureCyl(LAMMPS *lmp, int narg, char **arg) :
ephi_y = new double[nphi];
nktv2p = force->nktv2p;
-
+
}
/* ---------------------------------------------------------------------- */
@@ -170,8 +170,8 @@ void ComputePressureCyl::init()
PphiAinv=1.0/((zhi-zlo)*bin_width*2.0*(double)nphi);
invVbin[0]=1.0/((zhi-zlo)*3.14159*R2kin[0]);
- PzAinv[0]=1.0/(3.14159*R2kin[0]*((double)nzbins));
- for (int jq=1;jq<nbins;jq++)
+ PzAinv[0]=1.0/(3.14159*R2kin[0]*((double)nzbins));
+ for (int jq=1;jq<nbins;jq++)
{
invVbin[jq]=1.0/((zhi-zlo)*3.14159*(R2kin[jq]-R2kin[jq-1]));
PzAinv[jq]=1.0/(3.14159*(R2kin[jq]-R2kin[jq-1])*((double)nzbins));
@@ -206,12 +206,12 @@ void ComputePressureCyl::init_list(int id, NeighList *ptr)
void ComputePressureCyl::compute_array()
{
- invoked_array = update->ntimestep;
+ invoked_array = update->ntimestep;
int ibin;
// clear pressures
- for (ibin=0;ibin<nbins;ibin++)
+ for (ibin=0;ibin<nbins;ibin++)
{
density_temp[ibin]=0.0;
density_all[ibin]=0.0;
@@ -287,7 +287,7 @@ void ComputePressureCyl::compute_array()
double sqrtD;
double lower_z,upper_z;
- for (ii = 0; ii < inum; ii++)
+ for (ii = 0; ii < inum; ii++)
{
i = ilist[ii];
if (!(mask[i] & groupbit)) continue;
@@ -302,7 +302,7 @@ void ComputePressureCyl::compute_array()
r1=x[i][0]*x[i][0]+x[i][1]*x[i][1];
- for (jj = 0; jj < jnum; jj++)
+ for (jj = 0; jj < jnum; jj++)
{
j = jlist[jj];
factor_lj = special_lj[sbmask(j)];
@@ -313,21 +313,21 @@ void ComputePressureCyl::compute_array()
// itag = jtag is possible for long cutoffs that include images of self
// do calculation only on appropriate processor
- if (newton_pair == 0 && j >= nlocal)
+ if (newton_pair == 0 && j >= nlocal)
{
jtag = tag[j];
- if (itag > jtag)
+ if (itag > jtag)
{
if ((itag+jtag) % 2 == 0) continue;
- }
- else if (itag < jtag)
+ }
+ else if (itag < jtag)
{
if ((itag+jtag) % 2 == 1) continue;
- }
- else
+ }
+ else
{
if (x[j][2] < ztmp) continue;
- if (x[j][2] == ztmp)
+ if (x[j][2] == ztmp)
{
if (x[j][1] < ytmp) continue;
if (x[j][1] == ytmp && x[j][0] < xtmp) continue;
@@ -458,7 +458,7 @@ void ComputePressureCyl::compute_array()
xL=xi+alpha*dx;
yL=yi+alpha*dy;
- L2=xL*xL+yL*yL;
+ L2=xL*xL+yL*yL;
if (L2>R2kin[nbins-1]) continue;
@@ -475,7 +475,7 @@ void ComputePressureCyl::compute_array()
}
// calculate pressure (force over area)
- for (ibin=0;ibin<nbins;ibin++)
+ for (ibin=0;ibin<nbins;ibin++)
{
Pr_temp[ibin]*=PrAinv[ibin]*Rinv[ibin];
Pphi_temp[ibin]*=PphiAinv;
@@ -488,7 +488,7 @@ void ComputePressureCyl::compute_array()
MPI_Allreduce(Pz_temp,Pz_all,nbins,MPI_DOUBLE,MPI_SUM,world);
// populate array
- for (ibin=0;ibin<nbins;ibin++)
+ for (ibin=0;ibin<nbins;ibin++)
{
array[ibin][0]=R[ibin];
array[ibin][2]=Pr_all[ibin]*nktv2p;
@@ -504,7 +504,7 @@ memory usage of data
double ComputePressureCyl::memory_usage()
{
- double bytes =
+ double bytes =
(3.0*(double)nphi + 16.0*(double)nbins+5.0*(double)nbins) * sizeof(double);
return bytes;
}
--
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