Merge pull request #1825 from akohlmey/next_patch_version

Step version string for next patch release

doc/lammps.1

@@ -1,4 +1,4 @@
-.TH LAMMPS "20 November 2019" "2019-11-20"
+.TH LAMMPS "9 January 2020" "2020-01-09"
 .SH NAME
 .B LAMMPS
 \- Molecular Dynamics Simulator.

lib/gpu/lal_lj_tip4p_long.cpp

@@ -204,7 +204,7 @@ void LJTIP4PLongT::loop(const bool _eflag, const bool _vflag) {
   GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/
                                (BX/this->_threads_per_atom)));
   this->k_pair.set_size(GX,BX);
-  if (vflag){
+  if (vflag) {
           this->ansO.resize_ib(ainum*3);
   } else {
           this->ansO.resize_ib(ainum);
@@ -229,8 +229,8 @@ void LJTIP4PLongT::loop(const bool _eflag, const bool _vflag) {
 
 
 template <class numtyp, class acctyp>
-void LJTIP4PLongT::copy_relations_data(int n, int* tag, int *map_array,
+void LJTIP4PLongT::copy_relations_data(int n, tagint *tag, int *map_array,
-                      int map_size, int *sametag, int max_same, int ago){
+                      int map_size, int *sametag, int max_same, int ago) {
   int nall = n;
   const int hn_sz = n*4; // matrix size = col size * col number
   hneight.resize_ib(hn_sz);

lib/gpu/lal_lj_tip4p_long.cu

@@ -11,7 +11,7 @@
 //
 //    begin                :
 //    email                : thevsevak@gmail.com
-// ***************************************************************************/
+// ***************************************************************************
 
 #ifdef NV_KERNEL
 
@@ -29,7 +29,7 @@ texture<int2> q_tex;
 #define q_tex q_
 #endif
 
-ucl_inline int atom_mapping(const __global int *map, int glob){
+ucl_inline int atom_mapping(const __global int *map, int glob) {
   return map[glob];
 }
 
@@ -66,7 +66,7 @@ ucl_inline int closest_image(int i, int j, const __global int* sametag,
 
 ucl_inline void compute_newsite(int iO, int  iH1, int  iH2,
     __global numtyp4 *xM, numtyp q,
-    numtyp alpha, const __global numtyp4 *restrict x_){
+    numtyp alpha, const __global numtyp4 *restrict x_) {
   numtyp4 xO;  fetch4(xO,iO,pos_tex);
   numtyp4 xH1; fetch4(xH1,iH1,pos_tex);
   numtyp4 xH2; fetch4(xH2,iH2,pos_tex);
@@ -238,7 +238,7 @@ __kernel void k_lj_tip4p_newsite(const __global numtyp4 *restrict x_,
     iO  = i;
     numtyp4 ix; fetch4(ix,i,pos_tex); //x_[i];
     int itype = ix.w;
-    if (itype == typeO){
+    if (itype == typeO) {
       int iH1, iH2, iO;
       iH1 = hneigh[i*4  ];
       iH2 = hneigh[i*4+1];
@@ -404,7 +404,7 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
             fd.y = dely*force_coul;
             fd.z = delz*force_coul;
             if (itype == typeH) {
-              if (jtype == typeH){
+              if (jtype == typeH) {
                 virial[0] += delx*fd.x;
                 virial[1] += dely*fd.y;
                 virial[2] += delz*fd.z;
@@ -438,7 +438,7 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
               vdi.y = xO.y*cO + xH1.y*cH + xH2.y*cH;
               vdi.z = xO.z*cO + xH1.z*cH + xH2.z*cH;
               //vdi.w = vdi.w;
-              if (jtype != typeH){
+              if (jtype != typeH) {
                 numtyp4 xjH1; fetch4(xjH1,jH1,pos_tex);
                 numtyp4 xjH2; fetch4(xjH2,jH2,pos_tex);
                 numtyp4 xjO; fetch4(xjO,jO,pos_tex);
@@ -565,4 +565,4 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
   } // if ii
 }
 
-__kernel void k_lj_tip4p_long_fast(){}
+__kernel void k_lj_tip4p_long_fast() {}

lib/gpu/lal_lj_tip4p_long.h

@@ -61,7 +61,7 @@ public:
   double host_memory_usage() const;
 
   /// Copy data from LAMMPS_NS
-  void copy_relations_data(int n,int* tag, int *map_array, int map_size,
+  void copy_relations_data(int n, tagint* tag, int *map_array, int map_size,
                            int *sametag, int max_same, int ago);
 
   /// Reimplement BaseCharge pair loop with host neighboring

lib/gpu/lal_lj_tip4p_long_ext.cpp

@@ -138,9 +138,9 @@ double ljtip4p_long_gpu_bytes() {
   return LJTIP4PLMF.host_memory_usage();
 }
 
-void ljtip4p_long_copy_molecule_data(int n, int* tag,
+void ljtip4p_long_copy_molecule_data(int n, tagint* tag,
                                      int *map_array, int map_size,
-    int *sametag, int max_same, int ago){
+                                     int *sametag, int max_same, int ago) {
   LJTIP4PLMF.copy_relations_data(n, tag, map_array, map_size, sametag, max_same, ago);
 }
 

src/GPU/pair_lj_cut_tip4p_long_gpu.cpp

@@ -80,8 +80,8 @@ void ljtip4p_long_gpu_compute(const int ago, const int inum, const int nall,
     bool &success, double *host_q, const int nlocal,
     double *boxlo, double *prd);
 double ljtip4p_long_gpu_bytes();
-void ljtip4p_long_copy_molecule_data(int, int* , int *,
+void ljtip4p_long_copy_molecule_data(int, tagint *, int *,
-		int, int *, int , int);
+                                     int, int *, int, int);
 
 /* ---------------------------------------------------------------------- */
 

src/version.h

@@ -1 +1 @@
-#define LAMMPS_VERSION "20 Nov 2019"
+#define LAMMPS_VERSION "09 Jan 2020"