From c355348ff971f24b9a6fe78646a8d48b2e02a31d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 29 Jul 2020 21:31:51 -0400
Subject: [PATCH] remove local copy of "me"

---
 src/MISC/fix_ttm.cpp          | 10 +++++-----
 src/MISC/fix_ttm.h            |  1 -
 src/USER-MISC/fix_ttm_mod.cpp | 11 +++++------
 src/USER-MISC/fix_ttm_mod.h   |  1 -
 4 files changed, 10 insertions(+), 13 deletions(-)

diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp
index feeb4d2a18..757b2a619b 100644
--- a/src/MISC/fix_ttm.cpp
+++ b/src/MISC/fix_ttm.cpp
@@ -145,7 +145,7 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) :
 
   // set initial electron temperatures from user input file
 
-  if (me == 0) read_initial_electron_temperatures(arg[13]);
+  if (comm->me == 0) read_initial_electron_temperatures(arg[13]);
   MPI_Bcast(&T_electron[0][0][0],total_nnodes,MPI_DOUBLE,0,world);
 }
 
@@ -153,7 +153,7 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) :
 
 FixTTM::~FixTTM()
 {
-  if (nfileevery && me == 0) fclose(fp);
+  if (fp) fclose(fp);
 
   delete random;
 
@@ -360,7 +360,7 @@ void FixTTM::read_initial_electron_temperatures(const char *filename)
       error->one(FLERR,"Fix ttm electron temperatures must be > 0.0");
 
     T_electron[ixnode][iynode][iznode] = T_tmp;
-    T_initial_set[ixnode][iynode][iznode] = 1;
+    T_initial_set[ixnode][iynode][iznode] = 1.0;
   }
 
   // check completeness of input data
@@ -475,7 +475,7 @@ void FixTTM::end_of_step()
               (T_electron_old[ixnode][iynode][right_znode] +
                T_electron_old[ixnode][iynode][left_znode] -
                2*T_electron_old[ixnode][iynode][iznode])/dz/dz) -
-              (net_energy_transfer_all[ixnode][iynode][iznode])/del_vol);
+             (net_energy_transfer_all[ixnode][iynode][iznode])/del_vol);
         }
   }
 
@@ -526,7 +526,7 @@ void FixTTM::end_of_step()
     MPI_Allreduce(&sum_mass_vsq[0][0][0],&sum_mass_vsq_all[0][0][0],
                   total_nnodes,MPI_DOUBLE,MPI_SUM,world);
 
-    if (me == 0) {
+    if (comm->me == 0) {
       fmt::print(fp,"{}",update->ntimestep);
 
       double T_a;
diff --git a/src/MISC/fix_ttm.h b/src/MISC/fix_ttm.h
index e3168480b7..de8554e84f 100644
--- a/src/MISC/fix_ttm.h
+++ b/src/MISC/fix_ttm.h
@@ -48,7 +48,6 @@ class FixTTM : public Fix {
   double compute_vector(int);
 
  private:
-  int me;
   int nfileevery;
   int nlevels_respa;
   int seed;
diff --git a/src/USER-MISC/fix_ttm_mod.cpp b/src/USER-MISC/fix_ttm_mod.cpp
index bcdaa40977..15911ea6e5 100644
--- a/src/USER-MISC/fix_ttm_mod.cpp
+++ b/src/USER-MISC/fix_ttm_mod.cpp
@@ -66,7 +66,7 @@ static const char cite_fix_ttm_mod[] =
 /* ---------------------------------------------------------------------- */
 
 FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) :
-  Fix(lmp, narg, arg)
+  Fix(lmp, narg, arg), fp(NULL)
 {
   if (lmp->citeme) lmp->citeme->add(cite_fix_ttm_mod);
 
@@ -96,8 +96,7 @@ FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) :
   nfileevery = force->inumeric(FLERR,arg[9]);
   if (nfileevery > 0) {
     if (narg != 11) error->all(FLERR,"Illegal fix ttm/mod command");
-    MPI_Comm_rank(world,&me);
-    if (me == 0) {
+    if (comm->me == 0) {
       fp = fopen(arg[10],"w");
       if (fp == NULL) {
         char str[128];
@@ -159,7 +158,7 @@ FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) :
   atom->add_callback(0);
   atom->add_callback(1);
   // set initial electron temperatures from user input file
-  if (me == 0) read_initial_electron_temperatures(arg[13]);
+  if (comm->me == 0) read_initial_electron_temperatures(arg[13]);
   MPI_Bcast(&T_electron[0][0][0],total_nnodes,MPI_DOUBLE,0,world);
 }
 
@@ -167,7 +166,7 @@ FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) :
 
 FixTTMMod::~FixTTMMod()
 {
-  if (nfileevery && me == 0) fclose(fp);
+  if (fp) fclose(fp);
   delete random;
   delete [] gfactor1;
   delete [] gfactor2;
@@ -806,7 +805,7 @@ void FixTTMMod::end_of_step()
                   total_nnodes,MPI_DOUBLE,MPI_SUM,world);
     MPI_Allreduce(&t_surface_l,&surface_l,
                   1,MPI_INT,MPI_MIN,world);
-    if (me == 0) {
+    if (comm->me == 0) {
       fmt::print(fp,"{}",update->ntimestep);
       double T_a;
       for (int ixnode = 0; ixnode < nxnodes; ixnode++)
diff --git a/src/USER-MISC/fix_ttm_mod.h b/src/USER-MISC/fix_ttm_mod.h
index 11338be5f7..f51b79322c 100644
--- a/src/USER-MISC/fix_ttm_mod.h
+++ b/src/USER-MISC/fix_ttm_mod.h
@@ -53,7 +53,6 @@ class FixTTMMod : public Fix {
   double compute_vector(int);
 
  private:
-  int me;
   int nfileevery;
   int nlevels_respa;
   int seed;