From a517cffd8fe2b18968dffbf766cf7fc84ed2cec5 Mon Sep 17 00:00:00 2001
From: charlie sievers <charliesievers@charlies-MacBook-Pro.local>
Date: Mon, 14 Oct 2019 14:41:03 -0700
Subject: [PATCH] Corrected differing syntax in fix_langevin.cpp

---
 src/fix_langevin.cpp | 48 ++++++++++++++++++++++----------------------
 1 file changed, 24 insertions(+), 24 deletions(-)

diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp
index c12cdbaa26..01952f786c 100644
--- a/src/fix_langevin.cpp
+++ b/src/fix_langevin.cpp
@@ -111,14 +111,17 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) :
       iarg += 2;
     } else if (strcmp(arg[iarg],"gjf") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix langevin command");
-      if (strcmp(arg[iarg+1],"no") == 0) {gjfflag = 0; osflag = 0;}
+      if (strcmp(arg[iarg+1],"no") == 0) {
+        gjfflag = 0;
+        osflag = 0;
+      }
       else if (strcmp(arg[iarg+1],"vfull") == 0) {
-      gjfflag = 1;
-      osflag = 1;
+        gjfflag = 1;
+        osflag = 1;
       }
       else if (strcmp(arg[iarg+1],"vhalf") == 0) {
-      gjfflag = 1;
-      osflag = 0;
+        gjfflag = 1;
+        osflag = 0;
       }
       else error->all(FLERR,"Illegal fix langevin command");
       iarg += 2;
@@ -229,7 +232,7 @@ int FixLangevin::setmask()
 
 void FixLangevin::init()
 {
-  if (gjfflag){
+  if (gjfflag) {
     if (t_period*2 == update->dt)
       error->all(FLERR,"Fix langevin gjf cannot have t_period equal to dt/2");
 
@@ -323,7 +326,7 @@ void FixLangevin::init()
 
 void FixLangevin::setup(int vflag)
 {
-  if (gjfflag){
+  if (gjfflag) {
     double dtfm;
     double dt = update->dt;
     double **v = atom->v;
@@ -373,7 +376,7 @@ void FixLangevin::setup(int vflag)
     post_force_respa(vflag,nlevels_respa-1,0);
     ((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
   }
-  if (gjfflag){
+  if (gjfflag) {
     double dtfm;
     double dt = update->dt;
     double **f = atom->f;
@@ -420,7 +423,7 @@ void FixLangevin::initial_integrate(int /* vflag */)
   int nlocal = atom->nlocal;
 
   for (int i = 0; i < nlocal; i++)
-    if (mask[i] & groupbit){
+    if (mask[i] & groupbit) {
       f[i][0] /= gjfa;
       f[i][1] /= gjfa;
       f[i][2] /= gjfa;
@@ -660,12 +663,11 @@ void FixLangevin::post_force_templated()
         gamma2 = gfactor2[type[i]] * tsqrt;
       }
 
-      if (Tp_GJF){
+      if (Tp_GJF) {
         fran[0] = gamma2*random->gaussian();
         fran[1] = gamma2*random->gaussian();
         fran[2] = gamma2*random->gaussian();
-      }
-      else{
+      } else {
         fran[0] = gamma2*(random->uniform()-0.5);
         fran[1] = gamma2*(random->uniform()-0.5);
         fran[2] = gamma2*(random->uniform()-0.5);
@@ -729,7 +731,7 @@ void FixLangevin::post_force_templated()
       }
 
       if (Tp_TALLY) {
-        if (Tp_GJF){
+        if (Tp_GJF) {
           fdrag[0] = gamma1*lv[i][0]/gjfsib/gjfsib;
           fdrag[1] = gamma1*lv[i][1]/gjfsib/gjfsib;
           fdrag[2] = gamma1*lv[i][2]/gjfsib/gjfsib;
@@ -938,8 +940,8 @@ void FixLangevin::end_of_step()
 
   energy_onestep = 0.0;
 
-  if (tallyflag){
-    if (gjfflag){
+  if (tallyflag) {
+    if (gjfflag) {
       for (int i = 0; i < nlocal; i++)
         if (mask[i] & groupbit) {
           if (tbiasflag)
@@ -957,19 +959,18 @@ void FixLangevin::end_of_step()
                             flangevin[i][2]*v[i][2];
   }
 
-  if (gjfflag){
+  if (gjfflag) {
     double tmp[3];
     for (int i = 0; i < nlocal; i++)
-      if (mask[i] & groupbit){
+      if (mask[i] & groupbit) {
         tmp[0] = v[i][0];
         tmp[1] = v[i][1];
         tmp[2] = v[i][2];
-        if (!osflag){
+        if (!osflag) {
           v[i][0] = lv[i][0];
           v[i][1] = lv[i][1];
           v[i][2] = lv[i][2];
-        }
-        else{
+        } else {
           if (atom->rmass) {
             dtfm = force->ftm2v * 0.5 * dt / rmass[i];
           } else {
@@ -1064,16 +1065,15 @@ double FixLangevin::compute_scalar()
 
   if (update->ntimestep == update->beginstep) {
     energy_onestep = 0.0;
-    if (!gjfflag){
+    if (!gjfflag) {
       for (int i = 0; i < nlocal; i++)
         if (mask[i] & groupbit)
           energy_onestep += flangevin[i][0]*v[i][0] + flangevin[i][1]*v[i][1] +
                             flangevin[i][2]*v[i][2];
       energy = 0.5*energy_onestep*update->dt;
-    }
-    else{
+    } else {
       for (int i = 0; i < nlocal; i++)
-        if (mask[i] & groupbit){
+        if (mask[i] & groupbit) {
           if (tbiasflag)
             temperature->remove_bias(i, lv[i]);
           energy_onestep += flangevin[i][0]*lv[i][0] + flangevin[i][1]*lv[i][1] +