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