git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15170 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/compute_chunk_atom.cpp

@@ -159,7 +159,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) :
     char *ptr = strchr(suffix,'[');
     if (ptr) {
       if (suffix[strlen(suffix)-1] != ']')
-        error->all(FLERR,"Illegal fix ave/atom command");
+        error->all(FLERR,"Illegal compute chunk/atom command");
       argindex = atoi(ptr+1);
       *ptr = '\0';
     } else argindex = 0;
@@ -573,7 +573,7 @@ void ComputeChunkAtom::init()
 
   // create/destroy fix STORE for persistent chunk IDs as needed
   // need to do this if idsflag = ONCE or locks will be used by other commands
-  // need to wait until init() so that fix ave/chunk command(s) are in place
+  // need to wait until init() so that fix command(s) are in place
   //   they increment lockcount if they lock this compute
   // fixstore ID = compute-ID + COMPUTE_STORE, fix group = compute group
   // fixstore initializes all values to 0.0
@@ -617,7 +617,7 @@ void ComputeChunkAtom::setup()
 /* ----------------------------------------------------------------------
    only called by classes that use per-atom computes in standard way
      dump, variable, thermo output, other computes, etc
-   not called by fix ave/chunk or compute chunk commands
+   not called by fix chunk or compute chunk commands
      they invoke setup_chunks() and compute_ichunk() directly
 ------------------------------------------------------------------------- */
 
@@ -645,11 +645,11 @@ void ComputeChunkAtom::compute_peratom()
 
 /* ----------------------------------------------------------------------
    set lock, so that nchunk will not change from startstep to stopstep
-   called by fix ave/chunk for duration of its Nfreq epoch
-   OK if called by multiple fix ave/chunk commands
+   called by fix for duration of time it requires lock
+   OK if called by multiple fix commands
      error if all callers do not have same duration
      last caller holds the lock, so it can also unlock
-   lockstop can be positive for final step of finite-size time window
+   stopstep can be positive for final step of finite-size time window
    or can be -1 for infinite-size time window
 ------------------------------------------------------------------------- */
 
@@ -663,7 +663,7 @@ void ComputeChunkAtom::lock(Fix *fixptr, bigint startstep, bigint stopstep)
   }
 
   if (startstep != lockstart || stopstep != lockstop)
-    error->all(FLERR,"Two fix ave commands using "
+    error->all(FLERR,"Two fix commands using "
                "same compute chunk/atom command in incompatible ways");
 
   // set lock to last calling Fix, since it will be last to unlock()
@@ -673,7 +673,7 @@ void ComputeChunkAtom::lock(Fix *fixptr, bigint startstep, bigint stopstep)
 
 /* ----------------------------------------------------------------------
    unset lock
-   can only be done by fix ave/chunk command that holds the lock
+   can only be done by fix command that holds the lock
 ------------------------------------------------------------------------- */
 
 void ComputeChunkAtom::unlock(Fix *fixptr)
@@ -791,7 +791,7 @@ void ComputeChunkAtom::compute_ichunk()
      all atoms will be assigned a chunk ID from 1 to Nchunk, or 0
    also setup any internal state needed to quickly assign atoms to chunks
    called from compute_peratom() and also directly from
-     fix ave/chunk and compute chunk commands
+     fix chunk and compute chunk commands
 ------------------------------------------------------------------------- */
 
 int ComputeChunkAtom::setup_chunks()

src/compute_com_chunk.h

@@ -26,6 +26,9 @@ namespace LAMMPS_NS {
 
 class ComputeCOMChunk : public Compute {
  public:
+  char *idchunk;              // fields accessed by other classes
+  double *masstotal;
+
   ComputeCOMChunk(class LAMMPS *, int, char **);
   ~ComputeCOMChunk();
   void init();
@@ -43,10 +46,9 @@ class ComputeCOMChunk : public Compute {
  private:
   int nchunk,maxchunk;
   int firstflag,massneed;
-  char *idchunk;
   class ComputeChunkAtom *cchunk;
 
-  double *massproc,*masstotal;
+  double *massproc;
   double **com,**comall;
 
   void allocate();

src/fix_spring.cpp

@@ -23,9 +23,9 @@
 #include "update.h"
 #include "respa.h"
 #include "domain.h"
-#include "error.h"
 #include "force.h"
 #include "group.h"
+#include "error.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;