diff --git a/doc/lammps.1 b/doc/lammps.1 index a5045be5c4..4355e64961 100644 --- a/doc/lammps.1 +++ b/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. diff --git a/lib/gpu/lal_lj_tip4p_long.cpp b/lib/gpu/lal_lj_tip4p_long.cpp index 0fbd9cc9be..208d0ecbb0 100644 --- a/lib/gpu/lal_lj_tip4p_long.cpp +++ b/lib/gpu/lal_lj_tip4p_long.cpp @@ -204,10 +204,10 @@ void LJTIP4PLongT::loop(const bool _eflag, const bool _vflag) { GX=static_cast(ceil(static_cast(this->ans->inum())/ (BX/this->_threads_per_atom))); this->k_pair.set_size(GX,BX); - if (vflag){ - this->ansO.resize_ib(ainum*3); + if (vflag) { + this->ansO.resize_ib(ainum*3); } else { - this->ansO.resize_ib(ainum); + this->ansO.resize_ib(ainum); } this->ansO.zero(); this->device->gpu->sync(); @@ -229,8 +229,8 @@ void LJTIP4PLongT::loop(const bool _eflag, const bool _vflag) { template -void LJTIP4PLongT::copy_relations_data(int n, int* tag, int *map_array, - int map_size, int *sametag, int max_same, int ago){ +void LJTIP4PLongT::copy_relations_data(int n, tagint *tag, int *map_array, + 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); diff --git a/lib/gpu/lal_lj_tip4p_long.cu b/lib/gpu/lal_lj_tip4p_long.cu index fae5744224..10ac5b8454 100644 --- a/lib/gpu/lal_lj_tip4p_long.cu +++ b/lib/gpu/lal_lj_tip4p_long.cu @@ -11,7 +11,7 @@ // // begin : // email : thevsevak@gmail.com -// ***************************************************************************/ +// *************************************************************************** #ifdef NV_KERNEL @@ -29,12 +29,12 @@ texture q_tex; #define q_tex q_ #endif -ucl_inline int atom_mapping(const __global int *map, int glob){ - return map[glob]; +ucl_inline int atom_mapping(const __global int *map, int glob) { + return map[glob]; } ucl_inline int closest_image(int i, int j, const __global int* sametag, - const __global numtyp4 *restrict x_) + const __global numtyp4 *restrict x_) { if (j < 0) return j; @@ -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() {} diff --git a/lib/gpu/lal_lj_tip4p_long.h b/lib/gpu/lal_lj_tip4p_long.h index 66d45f6b7a..584a53e22b 100644 --- a/lib/gpu/lal_lj_tip4p_long.h +++ b/lib/gpu/lal_lj_tip4p_long.h @@ -61,8 +61,8 @@ 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, - int *sametag, int max_same, int ago); + 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 void compute(const int f_ago, const int inum_full, const int nall, diff --git a/lib/gpu/lal_lj_tip4p_long_ext.cpp b/lib/gpu/lal_lj_tip4p_long_ext.cpp index 944a2f09af..d0d6c7a3d2 100644 --- a/lib/gpu/lal_lj_tip4p_long_ext.cpp +++ b/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, - int *map_array, int map_size, - int *sametag, int max_same, int ago){ +void ljtip4p_long_copy_molecule_data(int n, tagint* tag, + int *map_array, int map_size, + int *sametag, int max_same, int ago) { LJTIP4PLMF.copy_relations_data(n, tag, map_array, map_size, sametag, max_same, ago); } diff --git a/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp b/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp index 266b64cb04..99668d26b8 100644 --- a/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp +++ b/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 *, - int, int *, int , int); +void ljtip4p_long_copy_molecule_data(int, tagint *, int *, + int, int *, int, int); /* ---------------------------------------------------------------------- */ diff --git a/src/fix_gravity.cpp b/src/fix_gravity.cpp index c36d2230c5..d130717470 100644 --- a/src/fix_gravity.cpp +++ b/src/fix_gravity.cpp @@ -37,7 +37,7 @@ enum{CONSTANT,EQUAL}; FixGravity::FixGravity(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), - mstr(NULL), vstr(NULL), pstr(NULL), tstr(NULL), + mstr(NULL), vstr(NULL), pstr(NULL), tstr(NULL), xstr(NULL), ystr(NULL), zstr(NULL) { if (narg < 5) error->all(FLERR,"Illegal fix gravity command"); diff --git a/src/version.h b/src/version.h index 38ec3883bf..1c5c4c6206 100644 --- a/src/version.h +++ b/src/version.h @@ -1 +1 @@ -#define LAMMPS_VERSION "20 Nov 2019" +#define LAMMPS_VERSION "09 Jan 2020"