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remove trailing whitespace

This commit is contained in:
Axel Kohlmeyer 2020-01-30 17:02:06 -05:00
parent f872d374a0
commit c732ccc0f8
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GPG Key ID: D9B44E93BF0C375A
3 changed files with 12 additions and 12 deletions
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8
src/min.cpp
View File

@ -705,19 +705,19 @@ void Min::modify_params(int narg, char **arg)
} else if (strcmp(arg[iarg],"tmin") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
tmin = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
iarg += 2;
} else if (strcmp(arg[iarg],"halfstepback") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
if (strcmp(arg[iarg+1],"yes") == 0) halfstepback_flag = 1;
else if (strcmp(arg[iarg+1],"no") == 0) halfstepback_flag = 0;
else error->all(FLERR,"Illegal min_modify command");
iarg += 2;
iarg += 2;
} else if (strcmp(arg[iarg],"initialdelay") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
if (strcmp(arg[iarg+1],"yes") == 0) delaystep_start_flag = 1;
else if (strcmp(arg[iarg+1],"no") == 0) delaystep_start_flag = 0;
else error->all(FLERR,"Illegal min_modify command");
iarg += 2;
iarg += 2;
} else if (strcmp(arg[iarg],"vdfmax") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
max_vdotf_negatif = force->numeric(FLERR,arg[iarg+1]);
@ -729,7 +729,7 @@ void Min::modify_params(int narg, char **arg)
else if (strcmp(arg[iarg+1],"leapfrog") == 0) integrator = 2;
else if (strcmp(arg[iarg+1],"eulerexplicit") == 0) integrator = 3;
else error->all(FLERR,"Illegal min_modify command");
iarg += 2;
iarg += 2;
} else if (strcmp(arg[iarg],"line") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
if (strcmp(arg[iarg+1],"backtrack") == 0) linestyle = 0;

2
src/min.h
View File

@ -74,7 +74,7 @@ class Min : protected Pointers {
// only for minimize style fire2
int delaystep; // minium steps of dynamics
double dtgrow,dtshrink; // timestep increase, decrease
double dtgrow,dtshrink; // timestep increase, decrease
double alpha0,alphashrink; // mixing velocities+forces coefficient
double tmax,tmin; // timestep multiplicators max, min
int integrator; // Newton integration: euler, leapfrog, verlet...

14
src/min_fire.cpp
View File

@ -79,7 +79,7 @@ void MinFire::setup_style()
" dmax delaystep dtgrow dtshrink alpha0 alphashrink tmax tmin "
" integrator halfstepback \n"
" %4g %9i %6g %8g %6g %11g %4g %4g %13s %12s \n",
dmax, delaystep, dtgrow, dtshrink, alpha0, alphashrink, tmax, tmin,
dmax, delaystep, dtgrow, dtshrink, alpha0, alphashrink, tmax, tmin,
s1[integrator], s2[halfstepback_flag]);
}
@ -256,7 +256,7 @@ int MinFire::iterate(int maxiter)
return MAXVDOTF;
// inertia correction
if (halfstepback_flag) {
for (int i = 0; i < nlocal; i++) {
x[i][0] -= 0.5 * dtv * v[i][0];
@ -290,16 +290,16 @@ int MinFire::iterate(int maxiter)
}
// Dynamic integration scheme:
// 0: semi-implicit Euler
// 0: semi-implicit Euler
// 1: velocity Verlet
// 2: leapfrog (initial half step before the iteration loop)
// 3: explicit Euler
// 3: explicit Euler
// Semi-implicit Euler OR Leap Frog integration
if (integrator == 0 || integrator == 2) {
dtf = dtv * force->ftm2v;
dtf = dtv * force->ftm2v;
if (rmass) {
for (int i = 0; i < nlocal; i++) {
@ -374,7 +374,7 @@ int MinFire::iterate(int maxiter)
x[i][2] += dtv * v[i][2];
}
}
eprevious = ecurrent;
ecurrent = energy_force(0);
neval++;
@ -399,7 +399,7 @@ int MinFire::iterate(int maxiter)
} else if (integrator == 3) {
dtf = dtv * force->ftm2v;
dtf = dtv * force->ftm2v;
if (rmass) {
for (int i = 0; i < nlocal; i++) {