/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ // Park/Miller RNG #include #include "random_park.h" #include "error.h" using namespace LAMMPS_NS; #define IA 16807 #define IM 2147483647 #define AM (1.0/IM) #define IQ 127773 #define IR 2836 /* ---------------------------------------------------------------------- */ RanPark::RanPark(LAMMPS *lmp, int seed_init) : Pointers(lmp) { if (seed_init <= 0) error->one(FLERR,"Invalid seed for Park random # generator"); seed = seed_init; save = 0; } /* ---------------------------------------------------------------------- uniform RN ------------------------------------------------------------------------- */ double RanPark::uniform() { int k = seed/IQ; seed = IA*(seed-k*IQ) - IR*k; if (seed < 0) seed += IM; double ans = AM*seed; return ans; } /* ---------------------------------------------------------------------- gaussian RN ------------------------------------------------------------------------- */ double RanPark::gaussian() { double first,v1,v2,rsq,fac; if (!save) { int again = 1; while (again) { v1 = 2.0*uniform()-1.0; v2 = 2.0*uniform()-1.0; rsq = v1*v1 + v2*v2; if (rsq < 1.0 && rsq != 0.0) again = 0; } fac = sqrt(-2.0*log(rsq)/rsq); second = v1*fac; first = v2*fac; save = 1; } else { first = second; save = 0; } return first; } /*----------------------------------------------------------------------- this part is added by yangyuanrui,time 2016.07.11 ------------------------------------------------------------------------*/ double RanPark::gaussianyang(double mu,double sigma) { double first,v1,v2,rsq,fac; double ssigma=sigma;//variance double u=mu; double x1=mu-3*ssigma; double x2=mu+3*ssigma; if (!save) { int again = 1; while (again) { v1 = 2.0*uniform()-1.0; v2 = 2.0*uniform()-1.0; rsq = v1*v1 + v2*v2; if (rsq < 1.0 && rsq != 0.0) again = 0; } fac = sqrt(-2.0*log(rsq)/rsq); second = v1*fac; first = v2*fac; save = 1; } else { first = second; save = 0; } first=first*sigma*sigma+u; if(firstx2) first=x2; return first; } /* ---------------------------------------------------------------------- */ void RanPark::reset(int seed_init) { if (seed_init <= 0) error->all(FLERR,"Invalid seed for Park random # generator"); seed = seed_init; save = 0; } /* ---------------------------------------------------------------------- reset the seed based on atom coords and ibase = caller seed use hash function, treating user seed and coords as sequence of input ints this is Jenkins One-at-a-time hash, see Wikipedia entry on hash tables ------------------------------------------------------------------------- */ void RanPark::reset(int ibase, double *coord) { int i; char *str = (char *) &ibase; int n = sizeof(int); unsigned int hash = 0; for (i = 0; i < n; i++) { hash += str[i]; hash += (hash << 10); hash ^= (hash >> 6); } str = (char *) coord; n = 3 * sizeof(double); for (i = 0; i < n; i++) { hash += str[i]; hash += (hash << 10); hash ^= (hash >> 6); } hash += (hash << 3); hash ^= (hash >> 11); hash += (hash << 15); // keep 31 bits of unsigned int as new seed // do not allow seed = 0, since will cause hang in gaussian() seed = hash & 0x7ffffff; if (!seed) seed = 1; // warm up the RNG for (i = 0; i < 5; i++) uniform(); save = 0; } /* ---------------------------------------------------------------------- */ int RanPark::state() { return seed; }