Collected small changes for stable release

doc/src/Errors_messages.txt

@@ -5828,6 +5828,12 @@ Must have periodic x,y dimensions and non-periodic z dimension to use
 Must have periodic x,y dimensions and non-periodic z dimension to use
 2d slab option with pppm/disp. :dd
 
+{Incorrect conversion in format string} :dt
+
+A format style variable was not using either a %f, a %g, or a %e conversion.
+Or an immediate variable with format suffix was not using either
+a %f, a %g or a %e conversion in the format suffix. :dd
+
 {Incorrect element names in ADP potential file} :dt
 
 The element names in the ADP file do not match those requested. :dd

doc/src/Packages_details.txt

@@ -208,7 +208,7 @@ available on your system.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#compress on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -358,7 +358,7 @@ developed the pair style.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#kim on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -404,7 +404,7 @@ lib/kokkos.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#kokkos on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -477,7 +477,7 @@ Cawkwell, Anders Niklasson, and Christian Negre.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#latte on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -654,7 +654,7 @@ University of Chicago.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#mscg on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -686,7 +686,7 @@ and Vincent Natoli (Stone Ridge Technolgy).
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#opt on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -743,7 +743,7 @@ connections at hinge points.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#poems on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -775,7 +775,7 @@ lib/python/README for more details.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#python on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -965,7 +965,7 @@ and LBNL.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#voronoi on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1017,7 +1017,7 @@ atomic information to continuum fields.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-atc on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1044,7 +1044,7 @@ model.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-awpmd on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1184,7 +1184,7 @@ Tribello.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-plumed on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1362,7 +1362,7 @@ H5MD format.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-h5md on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1400,7 +1400,7 @@ NOTE: the USER-INTEL package contains styles that require using the
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-intel on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1620,7 +1620,7 @@ at
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-molfile on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1660,7 +1660,7 @@ tools:
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-netcdf on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1704,7 +1704,7 @@ install/un-install the package and build LAMMPS in the usual manner:
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-omp on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1788,7 +1788,7 @@ without changes to LAMMPS itself.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-qmmm on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1846,7 +1846,7 @@ on your system.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-quip on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1964,7 +1964,7 @@ Dynamics, Ernst Mach Institute, Germany).
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-smd on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -2090,7 +2090,7 @@ system.
 [Install:]
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-vtk on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]

src/STUBS/mpi.c

@@ -148,12 +148,20 @@ int MPI_Finalize()
 
 double MPI_Wtime()
 {
+#if defined(_MSC_VER)
+  double t;
+
+  t = GetTickCount();
+  t /= 1000.0;
+  return t;
+#else
   double time;
   struct timeval tv;
 
   gettimeofday(&tv,NULL);
   time = 1.0 * tv.tv_sec + 1.0e-6 * tv.tv_usec;
   return time;
+#endif
 }
 
 /* ---------------------------------------------------------------------- */

src/USER-REAXC/reaxc_tool_box.cpp

@@ -34,8 +34,16 @@ double t_end;
 
 double Get_Time( )
 {
+#if defined(_MSC_VER)
+  double t;
+
+  t = GetTickCount();
+  t /= 1000.0;
+  return t;
+#else
   gettimeofday(&tim, NULL );
   return( tim.tv_sec + (tim.tv_usec / 1000000.0) );
+#endif
 }
 
 int Tokenize( char* s, char*** tok )

src/input.cpp

@@ -50,6 +50,7 @@
 #include "accelerator_kokkos.h"
 #include "error.h"
 #include "memory.h"
+#include "utils.h"
 
 #ifdef _OPENMP
 #include <omp.h>
@@ -526,6 +527,11 @@ void Input::substitute(char *&str, char *&str2, int &max, int &max2, int flag)
           *fmtflag='\0';
         }
 
+        // quick check for proper format string
+
+        if (!utils::strmatch(fmtstr,"%[0-9 ]*\\.[0-9]+[efgEFG]"))
+          error->all(FLERR,"Incorrect conversion in format string");
+
         snprintf(immediate,256,fmtstr,variable->compute_equal(var));
         value = immediate;
 

src/input.h

@@ -173,6 +173,11 @@ E: Unbalanced quotes in input line
 No matching end double quote was found following a leading double
 quote.
 
+E: Incorrect conversion in format string
+
+An immediate variable with format suffix was not using
+either a %f, a %g, or a %e conversion in the format suffix.
+
 E: Input line quote not followed by white-space
 
 An end quote must be followed by white-space.

src/lmpwindows.h

@@ -18,8 +18,8 @@
 #define pclose _pclose
 #define strdup _strdup
 
-// the following functions ared defined to get rid of
-// 'ambiguous call to overloaded function' error in VSS for mismathched type arguments
+// the following functions are defined to get rid of
+// 'ambiguous call to overloaded function' error in VSS for mismatched type arguments
 #if !defined(__MINGW32__)
 inline double pow(int i, int j){
   return pow((double)i,j);

src/variable.cpp

@@ -38,6 +38,7 @@
 #include "memory.h"
 #include "info.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
@@ -383,6 +384,8 @@ void Variable::set(int narg, char **arg)
     num[nvar] = 3;
     which[nvar] = 0;
     pad[nvar] = 0;
+    if (!utils::strmatch(arg[2],"%[0-9 ]*\\.[0-9]+[efgEFG]"))
+      error->all(FLERR,"Incorrect conversion in format string");
     data[nvar] = new char*[num[nvar]];
     copy(2,&arg[2],data[nvar]);
     data[nvar][2] = new char[VALUELENGTH];

src/variable.h

@@ -210,6 +210,10 @@ E: Invalid variable style with next command
 Variable styles {equal} and {world} cannot be used in a next
 command.
 
+E: Incorrect conversion in format string
+
+A format style variable was not using either a %f, a %g, or a %e conversion.
+
 E: Next command must list all universe and uloop variables
 
 This is to insure they stay in sync.