Removed use of LAMMPS timestep in gpu library.
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@ -101,24 +101,23 @@ void cmml_gpu_clear() {
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CMMLMF.clear();
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}
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int * cmml_gpu_compute_n(const int timestep, const int ago, const int inum_full,
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int * cmml_gpu_compute_n(const int ago, const int inum_full,
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const int nall, double **host_x, int *host_type,
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double *boxlo, double *boxhi, int *tag, int **nspecial,
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int **special, const bool eflag, const bool vflag,
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const bool eatom, const bool vatom, int &host_start,
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const double cpu_time, bool &success, double *host_q) {
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return CMMLMF.compute(timestep, ago, inum_full, nall, host_x, host_type, boxlo,
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return CMMLMF.compute(ago, inum_full, nall, host_x, host_type, boxlo,
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boxhi, tag, nspecial, special, eflag, vflag, eatom,
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vatom, host_start, cpu_time, success, host_q);
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}
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void cmml_gpu_compute(const int timestep, const int ago, const int inum_full,
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const int nall, double **host_x, int *host_type,
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int *ilist, int *numj, int **firstneigh,
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const bool eflag, const bool vflag, const bool eatom,
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const bool vatom, int &host_start, const double cpu_time,
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bool &success, double *host_q) {
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CMMLMF.compute(timestep,ago,inum_full,nall,host_x,host_type,ilist,numj,
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void cmml_gpu_compute(const int ago, const int inum_full, const int nall,
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double **host_x, int *host_type, int *ilist, int *numj,
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int **firstneigh, const bool eflag, const bool vflag,
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const bool eatom, const bool vatom, int &host_start,
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const double cpu_time, bool &success, double *host_q) {
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CMMLMF.compute(ago,inum_full,nall,host_x,host_type,ilist,numj,
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firstneigh,eflag,vflag,eatom,vatom,host_start,cpu_time,success,
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host_q);
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}
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