fix whitespace issues

doc/src/Developer_notes.rst

@@ -57,7 +57,7 @@ value of 1 in their constructor:
 * *energy_peratom_flag* to contribute to peratom energy, :doc:`fix cmap <fix_cmap>`
 * *virial_global_flag* to contribute to global virial, example: :doc:`fix wall <fix_wall>`
 * *virial_peratom_flag* to contribute to peratom virial, example: :doc:`fix wall <fix_wall>`
-  
+
 The fix must also do the following:
 
 * For global energy, implement a compute_scalar() method that returns

doc/src/fix_modify.rst

@@ -86,7 +86,7 @@ appropriate fix.
    For most fixes that suppport the *energy* keyword, the default
    setting is *no*.  For a few it is *yes*, when a user would expect
    that to be the case.  The doc page of each fix gives the default.
-   
+
 The *virial* keyword can be used with fixes that support it, which is
 explained at the bottom of their doc page.  *Virial yes* will add a
 contribution to the virial of the system.  More specifically, the

doc/src/thermo_style.rst

@@ -298,7 +298,7 @@ thermostatting or barostatting to their coupling reservoirs.  I.e. it
 is *pe* + *ke* + *econserve*\ .  Ideally, for a simulation in the NVE,
 NPH, or NPT ensembles, the *econserve* quantity should remain constant
 over time.
-   
+
 The *fmax* and *fnorm* keywords are useful for monitoring the progress
 of an :doc:`energy minimization <minimize>`.  The *fmax* keyword
 calculates the maximum force in any dimension on any atom in the

src/KSPACE/pppm_dipole.cpp

@@ -463,7 +463,7 @@ void PPPMDipole::compute(int eflag, int vflag)
 
   if (evflag_atom)
     gc_dipole->forward_comm_kspace(this,18,sizeof(FFT_SCALAR),FORWARD_MU_PERATOM,
-				   gc_buf1,gc_buf2,MPI_FFT_SCALAR);
+                                   gc_buf1,gc_buf2,MPI_FFT_SCALAR);
 
   // calculate the force on my particles
 
@@ -1333,7 +1333,7 @@ void PPPMDipole::poisson_ik_dipole()
             wimg = (work1[n+1]*fkx[i] + work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
             energy +=
             s2 * greensfn[ii] * (wreal*wreal + wimg*wimg);
-	    ii++;
+            ii++;
             n += 2;
           }
     }
@@ -1430,9 +1430,9 @@ void PPPMDipole::poisson_ik_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = -fkx[i]*fkx[i]*(work1[n+1]*fkx[i] +
-				   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+                                   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
         work4[n+1] = fkx[i]*fkx[i]*(work1[n]*fkx[i] +
-				    work2[n]*fky[j] + work3[n]*fkz[k]);
+                                    work2[n]*fky[j] + work3[n]*fkz[k]);
         n += 2;
       }
 
@@ -1453,9 +1453,9 @@ void PPPMDipole::poisson_ik_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = -fky[j]*fky[j]*(work1[n+1]*fkx[i] +
-				   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+                                   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
         work4[n+1] = fky[j]*fky[j]*(work1[n]*fkx[i] +
-				    work2[n]*fky[j] + work3[n]*fkz[k]);
+                                    work2[n]*fky[j] + work3[n]*fkz[k]);
         n += 2;
       }
 
@@ -1476,9 +1476,9 @@ void PPPMDipole::poisson_ik_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = -fkz[k]*fkz[k]*(work1[n+1]*fkx[i] +
-				   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+                                   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
         work4[n+1] = fkz[k]*fkz[k]*(work1[n]*fkx[i] +
-				    work2[n]*fky[j] + work3[n]*fkz[k]);
+                                    work2[n]*fky[j] + work3[n]*fkz[k]);
         n += 2;
       }
 
@@ -1499,9 +1499,9 @@ void PPPMDipole::poisson_ik_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = -fkx[i]*fky[j]*(work1[n+1]*fkx[i] +
-				   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+                                   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
         work4[n+1] = fkx[i]*fky[j]*(work1[n]*fkx[i] +
-				    work2[n]*fky[j] + work3[n]*fkz[k]);
+                                    work2[n]*fky[j] + work3[n]*fkz[k]);
         n += 2;
       }
 
@@ -1522,9 +1522,9 @@ void PPPMDipole::poisson_ik_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = -fkx[i]*fkz[k]*(work1[n+1]*fkx[i] +
-				   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+                                   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
         work4[n+1] = fkx[i]*fkz[k]*(work1[n]*fkx[i] +
-				    work2[n]*fky[j] + work3[n]*fkz[k]);
+                                    work2[n]*fky[j] + work3[n]*fkz[k]);
         n += 2;
       }
 
@@ -1545,9 +1545,9 @@ void PPPMDipole::poisson_ik_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = -fky[j]*fkz[k]*(work1[n+1]*fkx[i] +
-				   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
+                                   work2[n+1]*fky[j] + work3[n+1]*fkz[k]);
         work4[n+1] = fky[j]*fkz[k]*(work1[n]*fkx[i] +
-				    work2[n]*fky[j] + work3[n]*fkz[k]);
+                                    work2[n]*fky[j] + work3[n]*fkz[k]);
         n += 2;
       }
 
@@ -1582,9 +1582,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkx[i]*(vg[ii][0]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
         work4[n+1] = fkx[i]*(vg[ii][0]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1607,9 +1607,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fky[j]*(vg[ii][0]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
         work4[n+1] = fky[j]*(vg[ii][0]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1632,9 +1632,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkz[k]*(vg[ii][0]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkx[i]*work1[n]);
         work4[n+1] = fkz[k]*(vg[ii][0]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkx[i]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1657,9 +1657,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkx[i]*(vg[ii][1]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
+                                      work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
         work4[n+1] = fkx[i]*(vg[ii][1]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
         n += 2;
         ii++;
       }
@@ -1682,9 +1682,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fky[j]*(vg[ii][1]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
+                                      work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
         work4[n+1] = fky[j]*(vg[ii][1]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
         n += 2;
         ii++;
       }
@@ -1707,9 +1707,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkz[k]*(vg[ii][1]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
+                                      work3[n]*fkz[k]) + 2.0*fky[j]*work2[n]);
         work4[n+1] = fkz[k]*(vg[ii][1]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fky[j]*work2[n+1]);
         n += 2;
         ii++;
       }
@@ -1732,9 +1732,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkx[i]*(vg[ii][2]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
         work4[n+1] = fkx[i]*(vg[ii][2]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
         n += 2;
         ii++;
       }
@@ -1757,9 +1757,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fky[j]*(vg[ii][2]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
         work4[n+1] = fky[j]*(vg[ii][2]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
         n += 2;
         ii++;
       }
@@ -1782,9 +1782,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkz[k]*(vg[ii][2]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work3[n]);
         work4[n+1] = fkz[k]*(vg[ii][2]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work3[n+1]);
         n += 2;
         ii++;
       }
@@ -1807,9 +1807,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkx[i]*(vg[ii][3]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
         work4[n+1] = fkx[i]*(vg[ii][3]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1832,9 +1832,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fky[j]*(vg[ii][3]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
         work4[n+1] = fky[j]*(vg[ii][3]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1857,9 +1857,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkz[k]*(vg[ii][3]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fky[j]*work1[n]);
         work4[n+1] = fkz[k]*(vg[ii][3]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fky[j]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1882,9 +1882,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkx[i]*(vg[ii][4]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
         work4[n+1] = fkx[i]*(vg[ii][4]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1907,9 +1907,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fky[j]*(vg[ii][4]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
         work4[n+1] = fky[j]*(vg[ii][4]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1932,9 +1932,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkz[k]*(vg[ii][4]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work1[n]);
         work4[n+1] = fkz[k]*(vg[ii][4]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work1[n+1]);
         n += 2;
         ii++;
       }
@@ -1957,9 +1957,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkx[i]*(vg[ii][5]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
         work4[n+1] = fkx[i]*(vg[ii][5]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
         n += 2;
         ii++;
       }
@@ -1982,9 +1982,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fky[j]*(vg[ii][5]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
         work4[n+1] = fky[j]*(vg[ii][5]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
         n += 2;
         ii++;
       }
@@ -2007,9 +2007,9 @@ void PPPMDipole::poisson_peratom_dipole()
     for (j = nylo_fft; j <= nyhi_fft; j++)
       for (i = nxlo_fft; i <= nxhi_fft; i++) {
         work4[n] = fkz[k]*(vg[ii][5]*(work1[n]*fkx[i] + work2[n]*fky[j] +
-				      work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
+                                      work3[n]*fkz[k]) + 2.0*fkz[k]*work2[n]);
         work4[n+1] = fkz[k]*(vg[ii][5]*(work1[n+1]*fkx[i] + work2[n+1]*fky[j] +
-					work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
+                                        work3[n+1]*fkz[k]) + 2.0*fkz[k]*work2[n+1]);
         n += 2;
         ii++;
       }

src/KSPACE/pppm_disp.cpp

@@ -689,9 +689,9 @@ void PPPMDisp::setup()
             vg[n][3] = 0.0;
             vg[n][4] = 0.0;
             vg[n][5] = 0.0;
-	    vg2[n][0] = 0.0;
+            vg2[n][0] = 0.0;
-	    vg2[n][1] = 0.0;
+            vg2[n][1] = 0.0;
-	    vg2[n][2] = 0.0;
+            vg2[n][2] = 0.0;
           } else {
             vterm = -2.0 * (1.0/sqk + 0.25*gew2inv);
             vg[n][0] = 1.0 + vterm*fkx[i]*fkx[i];
@@ -1048,7 +1048,7 @@ void PPPMDisp::compute(int eflag, int vflag)
     make_rho_a();
 
     gc6->reverse_comm_kspace(this,7,sizeof(FFT_SCALAR),REVERSE_RHO_ARITH,
-			     gc6_buf1,gc6_buf2,MPI_FFT_SCALAR);
+                             gc6_buf1,gc6_buf2,MPI_FFT_SCALAR);
 
     brick2fft_a();
 
@@ -1143,7 +1143,7 @@ void PPPMDisp::compute(int eflag, int vflag)
     make_rho_none();
 
     gc6->reverse_comm_kspace(this,nsplit_alloc,sizeof(FFT_SCALAR),REVERSE_RHO_NONE,
-			     gc6_buf1,gc6_buf2,MPI_FFT_SCALAR);
+                             gc6_buf1,gc6_buf2,MPI_FFT_SCALAR);
 
     brick2fft_none();
 
@@ -1158,14 +1158,14 @@ void PPPMDisp::compute(int eflag, int vflag)
       }
 
       gc6->forward_comm_kspace(this,1*nsplit_alloc,sizeof(FFT_SCALAR),
-			       FORWARD_AD_NONE,
+                               FORWARD_AD_NONE,
                                gc6_buf1,gc6_buf2,MPI_FFT_SCALAR);
 
       fieldforce_none_ad();
 
       if (vflag_atom)
         gc6->forward_comm_kspace(this,6*nsplit_alloc,sizeof(FFT_SCALAR),
-				 FORWARD_AD_PERATOM_NONE,
+                                 FORWARD_AD_PERATOM_NONE,
                                  gc6_buf1,gc6_buf2,MPI_FFT_SCALAR);
 
     } else {
@@ -1180,14 +1180,14 @@ void PPPMDisp::compute(int eflag, int vflag)
       }
 
       gc6->forward_comm_kspace(this,3*nsplit_alloc,sizeof(FFT_SCALAR),
-			       FORWARD_IK_NONE,
+                               FORWARD_IK_NONE,
                                gc6_buf1,gc6_buf2,MPI_FFT_SCALAR);
 
       fieldforce_none_ik();
 
       if (evflag_atom)
         gc6->forward_comm_kspace(this,7*nsplit_alloc,sizeof(FFT_SCALAR),
-				 FORWARD_IK_PERATOM_NONE,
+                                 FORWARD_IK_PERATOM_NONE,
                                  gc6_buf1,gc6_buf2,MPI_FFT_SCALAR);
     }
 
@@ -1321,7 +1321,7 @@ void PPPMDisp::init_coeffs()
       converged = qr_alg(A,Q,n);
       if (function[3] && !converged) {
         error->all(FLERR,
-		   "Matrix factorization to split dispersion coefficients failed");
+                   "Matrix factorization to split dispersion coefficients failed");
       }
 
       // determine number of used eigenvalues
@@ -1409,8 +1409,8 @@ void PPPMDisp::init_coeffs()
         utils::logmesg(lmp,fmt::format("  Using {} structure factors\n",
                                        nsplit));
       if (nsplit > 9)
-	error->warning(FLERR,"Simulations might be very slow "
+        error->warning(FLERR,"Simulations might be very slow "
-		       "because of large number of structure factors");
+                       "because of large number of structure factors");
     }
 
     memory->destroy(A);
@@ -4564,11 +4564,11 @@ void PPPMDisp::make_rho_none()
         my = m+ny;
         x0 = y0*rho1d_6[1][m];
         for (l = nlower_6; l <= nupper_6; l++) {
-	  mx = l+nx;
+          mx = l+nx;
           w = x0*rho1d_6[0][l];
           for (k = 0; k < nsplit; k++) {
             density_brick_none[k][mz][my][mx] += w*B[nsplit*type + k];
-	  }
+          }
         }
       }
     }
@@ -4813,13 +4813,13 @@ void PPPMDisp::poisson_ad(FFT_SCALAR* wk1, FFT_SCALAR* wk2,
 ------------------------------------------------------------------------- */
 
 void PPPMDisp::poisson_peratom(FFT_SCALAR* wk1, FFT_SCALAR* wk2, LAMMPS_NS::FFT3d* ft2,
-			       double** vcoeff, double** vcoeff2, int nft,
+                               double** vcoeff, double** vcoeff2, int nft,
-			       int nxlo_i, int nylo_i, int nzlo_i,
+                               int nxlo_i, int nylo_i, int nzlo_i,
-			       int nxhi_i, int nyhi_i, int nzhi_i,
+                               int nxhi_i, int nyhi_i, int nzhi_i,
-			       FFT_SCALAR*** v0_pa, FFT_SCALAR*** v1_pa,
+                               FFT_SCALAR*** v0_pa, FFT_SCALAR*** v1_pa,
-			       FFT_SCALAR*** v2_pa,
+                               FFT_SCALAR*** v2_pa,
-			       FFT_SCALAR*** v3_pa, FFT_SCALAR*** v4_pa,
+                               FFT_SCALAR*** v3_pa, FFT_SCALAR*** v4_pa,
-			       FFT_SCALAR*** v5_pa)
+                               FFT_SCALAR*** v5_pa)
 {
  // v0 & v1 term
 
@@ -5227,8 +5227,8 @@ poisson_none_ik(int n1, int n2,FFT_SCALAR* dfft_1, FFT_SCALAR* dfft_2,
 
   if (vflag_atom)
     poisson_none_peratom(n1,n2,
-			 v0_pa[n1],v1_pa[n1],v2_pa[n1],v3_pa[n1],v4_pa[n1],v5_pa[n1],
+                         v0_pa[n1],v1_pa[n1],v2_pa[n1],v3_pa[n1],v4_pa[n1],v5_pa[n1],
-			 v0_pa[n2],v1_pa[n2],v2_pa[n2],v3_pa[n2],v4_pa[n2],v5_pa[n2]);
+                         v0_pa[n2],v1_pa[n2],v2_pa[n2],v3_pa[n2],v4_pa[n2],v5_pa[n2]);
 }
 
 /* ----------------------------------------------------------------------
@@ -5429,8 +5429,8 @@ poisson_none_ad(int n1, int n2, FFT_SCALAR* dfft_1, FFT_SCALAR* dfft_2,
 
   if (vflag_atom)
     poisson_none_peratom(n1,n2,
-			 v0_pa[n1],v1_pa[n1],v2_pa[n1],v3_pa[n1],v4_pa[n1],v5_pa[n1],
+                         v0_pa[n1],v1_pa[n1],v2_pa[n1],v3_pa[n1],v4_pa[n1],v5_pa[n1],
-			 v0_pa[n2],v1_pa[n2],v2_pa[n2],v3_pa[n2],v4_pa[n2],v5_pa[n2]);
+                         v0_pa[n2],v1_pa[n2],v2_pa[n2],v3_pa[n2],v4_pa[n2],v5_pa[n2]);
 }
 
 /* ----------------------------------------------------------------------

src/RIGID/fix_rigid_nh.cpp

@@ -50,7 +50,7 @@ FixRigidNH::FixRigidNH(LAMMPS *lmp, int narg, char **arg) :
   id_press(nullptr), temperature(nullptr), pressure(nullptr)
 {
   if (tstat_flag || pstat_flag) ecouple_flag = 1;
-  
+
   // error checks: could be moved up to FixRigid
 
   if ((p_flag[0] == 1 && p_period[0] <= 0.0) ||

src/USER-BOCS/compute_pressure_bocs.cpp

@@ -231,7 +231,7 @@ double ComputePressureBocs::find_index(double * grid, double value)
 ------------------------------------------------------------------------- */
 
 double ComputePressureBocs::get_cg_p_corr(double ** grid, int basis_type,
-					  double vCG)
+                                          double vCG)
 {
   int i = find_index(grid[0],vCG);
   double correction, deltax = vCG - grid[0][i];
@@ -259,8 +259,8 @@ double ComputePressureBocs::get_cg_p_corr(double ** grid, int basis_type,
 ------------------------------------------------------------------------- */
 
 void ComputePressureBocs::send_cg_info(int basis_type, int sent_N_basis,
-				       double *sent_phi_coeff, int sent_N_mol,
+                                       double *sent_phi_coeff, int sent_N_mol,
-				       double sent_vavg)
+                                       double sent_vavg)
 {
   if (basis_type == BASIS_ANALYTIC) { p_basis_type = BASIS_ANALYTIC; }
   else
@@ -285,7 +285,7 @@ void ComputePressureBocs::send_cg_info(int basis_type, int sent_N_basis,
 ------------------------------------------------------------------------- */
 
 void ComputePressureBocs::send_cg_info(int basis_type,
-				       double ** in_splines, int gridsize)
+                                       double ** in_splines, int gridsize)
 {
   if (basis_type == BASIS_LINEAR_SPLINE) { p_basis_type = BASIS_LINEAR_SPLINE; }
   else if (basis_type == BASIS_CUBIC_SPLINE) { p_basis_type = BASIS_CUBIC_SPLINE; }

src/USER-BOCS/fix_bocs.cpp

@@ -88,7 +88,7 @@ FixBocs::FixBocs(LAMMPS *lmp, int narg, char **arg) :
   extscalar = 1;
   extvector = 0;
   ecouple_flag = 1;
-  
+
   // default values
 
   pcouple = NONE;

src/USER-COLVARS/fix_colvars.cpp

@@ -299,7 +299,7 @@ FixColvars::FixColvars(LAMMPS *lmp, int narg, char **arg) :
   extscalar = 1;
   restart_global = 1;
   energy_global_flag = 1;
-  
+
   me = comm->me;
   root2root = MPI_COMM_NULL;
 

src/USER-DRUDE/fix_tgnh_drude.cpp

@@ -67,7 +67,7 @@ FixTGNHDrude::FixTGNHDrude(LAMMPS *lmp, int narg, char **arg) :
   extscalar = 1;
   extvector = 0;
   ecouple_flag = 1;
-  
+
   // default values
 
   pcouple = NONE;

src/USER-MISC/fix_flow_gauss.cpp

@@ -82,7 +82,7 @@ FixFlowGauss::FixFlowGauss(LAMMPS *lmp, int narg, char **arg) :
   }
 
   // by default, do not compute work done
-  
+
   workflag=0;
 
   // process optional keyword
@@ -137,11 +137,11 @@ void FixFlowGauss::init()
 void FixFlowGauss::setup(int vflag)
 {
   // need to compute work done if fix_modify energy yes is set
-  
+
   if (thermo_energy) workflag = 1;
 
   // get total mass of group
-  
+
   mTot=group->mass(igroup);
   if (mTot <= 0.0)
     error->all(FLERR,"Invalid group mass in fix flow/gauss");

src/USER-MISC/fix_ti_spring.cpp

@@ -65,7 +65,7 @@ FixTISpring::FixTISpring(LAMMPS *lmp, int narg, char **arg) :
   extscalar = 1;
   extvector = 1;
   energy_global_flag = 1;
-  
+
   // disallow resetting the time step, while this fix is defined
   time_depend = 1;
 

src/USER-MISC/fix_wall_region_ees.cpp

@@ -38,7 +38,7 @@ FixWallRegionEES::FixWallRegionEES(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg)
 {
   if (narg != 7) error->all(FLERR,"Illegal fix wall/region/ees command");
-  
+
   scalar_flag = 1;
   vector_flag = 1;
   size_vector = 3;
@@ -46,7 +46,7 @@ FixWallRegionEES::FixWallRegionEES(LAMMPS *lmp, int narg, char **arg) :
   extscalar = 1;
   extvector = 1;
   energy_global_flag = 1;
-  
+
   // parse args
 
   iregion = domain->find_region(arg[3]);

src/USER-PLUMED/fix_plumed.cpp

@@ -213,7 +213,7 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   scalar_flag = 1;
   energy_global_flag = virial_global_flag = 1;
   thermo_energy = thermo_virial = 1;
-  
+
   // This is the real initialization:
 
   p->cmd("init");

src/USER-QTB/fix_qbmsst.cpp

@@ -63,7 +63,7 @@ FixQBMSST::FixQBMSST(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
     error->all(FLERR,"Illegal fix qbmsst command");
 
   // default parameters
-  
+
   global_freq = 1;
   extscalar = 1;
   extvector = 0;
@@ -74,7 +74,7 @@ FixQBMSST::FixQBMSST(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
   vector_flag = 1;
   size_vector = 5;
   ecouple_flag = 1;
-  
+
   qmass = 1.0e1;
   mu = 0.0;
   p0 = 0.0;
@@ -95,7 +95,7 @@ FixQBMSST::FixQBMSST(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
   qtb_set = 0;
 
   // reading parameters
-  
+
   int iarg = 5;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"q") == 0) {

src/USER-QTB/fix_qtb.cpp

@@ -46,7 +46,7 @@ FixQTB::FixQTB(LAMMPS *lmp, int narg, char **arg) :
   if (narg < 3) error->all(FLERR,"Illegal fix qtb command");
 
   // default parameters
-  
+
   t_target = 300.0;
   t_period = 1.0;
   fric_coef = 1/t_period;

src/fix.cpp

@@ -152,7 +152,7 @@ void Fix::modify_params(int narg, char **arg)
       if (strcmp(arg[iarg+1],"no") == 0) thermo_energy = 0;
       else if (strcmp(arg[iarg+1],"yes") == 0) {
         if (energy_global_flag == 0 && energy_peratom_flag == 0)
-	  error->all(FLERR,"Illegal fix_modify command");
+          error->all(FLERR,"Illegal fix_modify command");
         thermo_energy = 1;
       } else error->all(FLERR,"Illegal fix_modify command");
       iarg += 2;
@@ -161,7 +161,7 @@ void Fix::modify_params(int narg, char **arg)
       if (strcmp(arg[iarg+1],"no") == 0) thermo_virial = 0;
       else if (strcmp(arg[iarg+1],"yes") == 0) {
         if (virial_global_flag == 0 && virial_peratom_flag == 0)
-	  error->all(FLERR,"Illegal fix_modify command");
+          error->all(FLERR,"Illegal fix_modify command");
         thermo_virial = 1;
       } else error->all(FLERR,"Illegal fix_modify command");
       iarg += 2;

src/fix.h

@@ -245,7 +245,7 @@ class Fix : protected Pointers {
   void ev_init(int eflag, int vflag) {
     if ((eflag && thermo_energy) || (vflag && thermo_virial)) ev_setup(eflag, vflag);
     else evflag = eflag_either = eflag_global = eflag_atom =
-	 vflag_either = vflag_global = vflag_atom = 0;
+         vflag_either = vflag_global = vflag_atom = 0;
   }
   void ev_setup(int, int);
   void ev_tally(int, int *, double, double, double *);

src/fix_nh.cpp

@@ -786,7 +786,7 @@ void FixNH::setup(int /*vflag*/)
         t0 = temperature->compute_scalar();
         if (t0 < EPSILON)
           error->all(FLERR,"Current temperature too close to zero, "
-		     "consider using ptemp setting");
+                     "consider using ptemp setting");
       }
     }
     t_target = t0;

src/fix_wall.cpp

@@ -315,7 +315,7 @@ void FixWall::post_force(int vflag)
   v_init(vflag);
 
   // energy intialize
-  
+
   for (int m = 0; m <= nwall; m++) ewall[m] = 0.0;
 
   // coord = current position of wall