Merge pull request #1154 from stanmoore1/small_fixes

Small fixes

src/.gitignore

@@ -269,6 +269,8 @@
 /compute_dpd.h
 /compute_dpd_atom.cpp
 /compute_dpd_atom.h
+/compute_entropy_atom.cpp
+/compute_entropy_atom.h
 /compute_erotate_asphere.cpp
 /compute_erotate_asphere.h
 /compute_erotate_rigid.cpp
@@ -311,8 +313,8 @@
 /compute_spec_atom.h
 /compute_stress_mop.cpp
 /compute_stress_mop.h
-/compute_stress_mop.profile.cpp
-/compute_stress_mop.profile.h
+/compute_stress_mop_profile.cpp
+/compute_stress_mop_profile.h
 /compute_stress_tally.cpp
 /compute_stress_tally.h
 /compute_temp_asphere.cpp
@@ -746,6 +748,8 @@
 /pair_eam_cd.h
 /pair_eam_fs.cpp
 /pair_eam_fs.h
+/pair_lj_expand_coul_long.cpp
+/pair_lj_expand_coul_long.h
 /pair_edip.cpp
 /pair_edip.h
 /pair_edip_multi.cpp

src/Makefile

@@ -74,7 +74,7 @@ PACKSYS = compress mpiio python user-lb
 
 PACKINT = gpu kokkos meam message poems reax user-atc user-awpmd user-colvars
 
-PACKEXT = kim mscg voronoi \
+PACKEXT = kim latte mscg voronoi \
 	  user-h5md user-molfile user-netcdf user-qmmm user-quip \
 	  user-smd user-vtk
 

src/USER-MISC/compute_stress_mop.cpp

@@ -397,13 +397,13 @@ void ComputeStressMop::compute_pairs()
           // at each timestep, must check atoms going through the
           // image of the plane that is closest to the box
 
-          double pos_temp = pos+copysign(1,domain->prd_half[dir]-pos)*domain->prd[dir];
+          double pos_temp = pos+copysign(1.0,domain->prd_half[dir]-pos)*domain->prd[dir];
           if (fabs(xi[dir]-pos)<fabs(xi[dir]-pos_temp)) pos_temp = pos;
 
           if (((xi[dir]-pos_temp)*(xj[dir]-pos_temp)<0)){
 
-            //sgn = copysign(1,vi[dir]-vcm[dir]);
-            sgn = copysign(1,vi[dir]);
+            //sgn = copysign(1.0,vi[dir]-vcm[dir]);
+            sgn = copysign(1.0,vi[dir]);
 
             //approximate crossing velocity by v(t-dt/2) (based on Velocity-Verlet alg.)
             double vcross[3];

src/USER-MISC/compute_stress_mop_profile.cpp

@@ -422,7 +422,7 @@ void ComputeStressMopProfile::compute_pairs()
 
             if (((xi[dir]-pos)*(xj[dir]-pos)*(xi[dir]-pos1)*(xj[dir]-pos1)<0)){
 
-              sgn = copysign(1,vi[dir]);
+              sgn = copysign(1.0,vi[dir]);
 
               //approximate crossing velocity by v(t-dt/2) (based on Velocity-Verlet alg.)
               double vcross[3];

src/USER-SMD/smd_math.h

@@ -24,7 +24,7 @@ static inline void LimitDoubleMagnitude(double &x, const double limit) {
          * if |x| exceeds limit, set x to limit with the sign of x
          */
         if (fabs(x) > limit) { // limit delVdotDelR to a fraction of speed of sound
-                x = limit * copysign(1, x);
+                x = limit * copysign(1.0, x);
         }
 }