From 0423971205006fa83b3f377297ff8abdb10a0189 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 6 Jul 2017 00:24:00 -0400
Subject: [PATCH] whitespace cleanup
---
src/SHOCK/fix_msst.cpp | 20 ++++++++++----------
src/SHOCK/fix_msst.h | 12 ++++++------
2 files changed, 16 insertions(+), 16 deletions(-)
diff --git a/src/SHOCK/fix_msst.cpp b/src/SHOCK/fix_msst.cpp
index cd4d6c0325..b66f0ed4d3 100644
--- a/src/SHOCK/fix_msst.cpp
+++ b/src/SHOCK/fix_msst.cpp
@@ -42,8 +42,8 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixMSST::FixMSST(LAMMPS *lmp, int narg, char **arg) :
- Fix(lmp, narg, arg), old_velocity(NULL), rfix(NULL),
- id_temp(NULL), id_press(NULL), id_pe(NULL), temperature(NULL),
+ Fix(lmp, narg, arg), old_velocity(NULL), rfix(NULL),
+ id_temp(NULL), id_press(NULL), id_pe(NULL), temperature(NULL),
pressure(NULL), pe(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal fix msst command");
@@ -131,7 +131,7 @@ FixMSST::FixMSST(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"beta") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
beta = force->numeric(FLERR,arg[iarg+1]);
- if (beta < 0.0 || beta > 1.0)
+ if (beta < 0.0 || beta > 1.0)
error->all(FLERR,"Illegal fix msst command");
iarg += 2;
} else error->all(FLERR,"Illegal fix msst command");
@@ -348,7 +348,7 @@ void FixMSST::init()
for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"external") == 0)
fix_external = (FixExternal *) modify->fix[i];
- if (fix_external == NULL)
+ if (fix_external == NULL)
error->all(FLERR,"Fix msst dftb cannot be used w/out fix external");
}
}
@@ -494,7 +494,7 @@ void FixMSST::initial_integrate(int vflag)
TS_int += (update->dt*TS_dot);
//TS_int += (update->dt*TS_dot)/total_mass;
- // compute etot + extra terms for conserved quantity
+ // compute etot + extra terms for conserved quantity
double e_scale = compute_etotal() + compute_scalar();
@@ -532,7 +532,7 @@ void FixMSST::initial_integrate(int vflag)
for ( k = 0; k < 3; k++ ) {
double C = f[i][k] * force->ftm2v / mass[type[i]];
TS_term = TS_dot/(mass[type[i]]*velocity_sum);
- escale_term = force->ftm2v*beta*(e0-e_scale) /
+ escale_term = force->ftm2v*beta*(e0-e_scale) /
(mass[type[i]]*velocity_sum);
double D = mu * omega[sd] * omega[sd] /
(velocity_sum * mass[type[i]] * vol );
@@ -592,7 +592,7 @@ void FixMSST::initial_integrate(int vflag)
for ( k = 0; k < 3; k++ ) {
double C = f[i][k] * force->ftm2v / mass[type[i]];
TS_term = TS_dot/(mass[type[i]]*velocity_sum);
- escale_term = force->ftm2v*beta*(e0-e_scale) /
+ escale_term = force->ftm2v*beta*(e0-e_scale) /
(mass[type[i]]*velocity_sum);
double D = mu * omega[sd] * omega[sd] /
(velocity_sum * mass[type[i]] * vol );
@@ -695,7 +695,7 @@ void FixMSST::final_integrate()
for ( int k = 0; k < 3; k++ ) {
double C = f[i][k] * force->ftm2v / mass[type[i]];
TS_term = TS_dot/(mass[type[i]]*velocity_sum);
- escale_term = force->ftm2v*beta*(e0-e_scale) /
+ escale_term = force->ftm2v*beta*(e0-e_scale) /
(mass[type[i]]*velocity_sum);
double D = mu * omega[sd] * omega[sd] /
(velocity_sum * mass[type[i]] * vol );
@@ -868,7 +868,7 @@ void FixMSST::restart(char *buf)
omega[direction] = list[n++];
e0 = list[n++];
v0 = list[n++];
- p0 = list[n++];
+ p0 = list[n++];
TS_int = list[n++];
tscale = 0.0; // set tscale to zero for restart
p0_set = 1;
@@ -892,7 +892,7 @@ int FixMSST::modify_param(int narg, char **arg)
strcpy(id_temp,arg[1]);
int icompute = modify->find_compute(id_temp);
- if (icompute < 0)
+ if (icompute < 0)
error->all(FLERR,"Could not find fix_modify temperature ID");
temperature = modify->compute[icompute];
diff --git a/src/SHOCK/fix_msst.h b/src/SHOCK/fix_msst.h
index 5a88ba8c54..092017bfbb 100644
--- a/src/SHOCK/fix_msst.h
+++ b/src/SHOCK/fix_msst.h
@@ -54,12 +54,12 @@ class FixMSST : public Fix {
int dftb; // flag for use with DFTB+
double velocity_sum; // Sum of the velocities squared
- double damping; // Damping function for TS force term at
+ double damping; // Damping function for TS force term at
// small volume difference (v0 - vol)
- double T0S0; // Initial TS term for DFTB+ simulations
- double S_elec,S_elec_1,S_elec_2; // time history of electron entropy
- // for DFTB+ simulaitons
- double TS_dot; // time derivative of TS term for
+ double T0S0; // Initial TS term for DFTB+ simulations
+ double S_elec,S_elec_1,S_elec_2; // time history of electron entropy
+ // for DFTB+ simulaitons
+ double TS_dot; // time derivative of TS term for
// DFTB+ simulations
double **old_velocity; // Saved velocities
@@ -88,7 +88,7 @@ class FixMSST : public Fix {
int p0_set; // Is pressure set
int v0_set; // Is volume set
int e0_set; // Is energy set
- double TS_int; // Needed for conserved quantity
+ double TS_int; // Needed for conserved quantity
// with thermal electronic excitations
double beta; // Energy conservation scaling factor
--
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