/************************************************************************************* Grid physics library, www.github.com/paboyle/Grid Source file: ./lib/qcd/utils/SUn.h Copyright (C) 2015 Author: Azusa Yamaguchi Author: Peter Boyle Author: neo Author: paboyle This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. See the full license in the file "LICENSE" in the top level distribution directory *************************************************************************************/ /* END LEGAL */ #ifndef QCD_UTIL_SUN_H #define QCD_UTIL_SUN_H namespace Grid { namespace QCD { template class SU { public: static int generators(void) { return ncolour*ncolour-1; } static int su2subgroups(void) { return (ncolour*(ncolour-1))/2; } template using iSUnMatrix = iScalar > > ; template using iSU2Matrix = iScalar > > ; ////////////////////////////////////////////////////////////////////////////////////////////////// // Types can be accessed as SU<2>::Matrix , SU<2>::vSUnMatrix, SU<2>::LatticeMatrix etc... ////////////////////////////////////////////////////////////////////////////////////////////////// typedef iSUnMatrix Matrix; typedef iSUnMatrix MatrixF; typedef iSUnMatrix MatrixD; typedef iSUnMatrix vMatrix; typedef iSUnMatrix vMatrixF; typedef iSUnMatrix vMatrixD; typedef Lattice LatticeMatrix; typedef Lattice LatticeMatrixF; typedef Lattice LatticeMatrixD; typedef iSU2Matrix SU2Matrix; typedef iSU2Matrix SU2MatrixF; typedef iSU2Matrix SU2MatrixD; typedef iSU2Matrix vSU2Matrix; typedef iSU2Matrix vSU2MatrixF; typedef iSU2Matrix vSU2MatrixD; typedef Lattice LatticeSU2Matrix; typedef Lattice LatticeSU2MatrixF; typedef Lattice LatticeSU2MatrixD; //////////////////////////////////////////////////////////////////////// // There are N^2-1 generators for SU(N). // // We take a traceless hermitian generator basis as follows // // * Normalisation: trace ta tb = 1/2 delta_ab // // * Off diagonal // - pairs of rows i1,i2 behaving like pauli matrices signma_x, sigma_y // // - there are (Nc-1-i1) slots for i2 on each row [ x 0 x ] // direct count off each row // // - Sum of all pairs is Nc(Nc-1)/2: proof arithmetic series // // (Nc-1) + (Nc-2)+... 1 ==> Nc*(Nc-1)/2 // 1+ 2+ + + Nc-1 // // - There are 2 x Nc (Nc-1)/ 2 of these = Nc^2 - Nc // // - We enumerate the row-col pairs. // - for each row col pair there is a (sigma_x) and a (sigma_y) like generator // // // t^a_ij = { in 0.. Nc(Nc-1)/2 -1} => delta_{i,i1} delta_{j,i2} + delta_{i,i1} delta_{j,i2} // t^a_ij = { in Nc(Nc-1)/2 ... Nc^(Nc-1) -1} => i delta_{i,i1} delta_{j,i2} - i delta_{i,i1} delta_{j,i2} // // * Diagonal; must be traceless and normalised // - Sequence is // N (1,-1,0,0...) // N (1, 1,-2,0...) // N (1, 1, 1,-3,0...) // N (1, 1, 1, 1,-4,0...) // // where 1/2 = N^2 (1+.. m^2)etc.... for the m-th diagonal generator // NB this gives the famous SU3 result for su2 index 8 // // N= sqrt(1/2 . 1/6 ) = 1/2 . 1/sqrt(3) // // ( 1 ) // ( 1 ) / sqrt(3) /2 = 1/2 lambda_8 // ( -2) //////////////////////////////////////////////////////////////////////// template static void generator(int lieIndex,iSUnMatrix &ta){ // map lie index to which type of generator int diagIndex; int su2Index; int sigxy; int NNm1 = ncolour*(ncolour-1); if ( lieIndex>= NNm1 ) { diagIndex = lieIndex -NNm1; generatorDiagonal(diagIndex,ta); return; } sigxy = lieIndex&0x1; su2Index= lieIndex>>1; if ( sigxy ) generatorSigmaY(su2Index,ta); else generatorSigmaX(su2Index,ta); } template static void generatorSigmaX(int su2Index,iSUnMatrix &ta){ ta=zero; int i1,i2; su2SubGroupIndex(i1,i2,su2Index); ta()()(i1,i2)=1.0; ta()()(i2,i1)=1.0; ta= ta *0.5; } template static void generatorSigmaY(int su2Index,iSUnMatrix &ta){ ta=zero; cplx i(0.0,1.0); int i1,i2; su2SubGroupIndex(i1,i2,su2Index); ta()()(i1,i2)=-i; ta()()(i2,i1)= i; ta= ta *0.5; } template static void generatorDiagonal(int diagIndex,iSUnMatrix &ta){ ta=zero; int trsq=0; int last=diagIndex+1; for(int i=0;i<=diagIndex;i++){ ta()()(i,i) = 1.0; trsq++; } ta()()(last,last) = -last; trsq+=last*last; RealD nrm = 1.0/std::sqrt(2.0*trsq); ta = ta *nrm; } //////////////////////////////////////////////////////////////////////// // Map a su2 subgroup number to the pair of rows that are non zero //////////////////////////////////////////////////////////////////////// static void su2SubGroupIndex(int &i1,int &i2,int su2_index){ assert( (su2_index>=0) && (su2_index< (ncolour*(ncolour-1))/2) ); int spare=su2_index; for(i1=0;spare >= (ncolour-1-i1);i1++ ){ spare = spare - (ncolour-1-i1); // remove the Nc-1-i1 terms } i2=i1+1+spare; } ////////////////////////////////////////////////////////////////////////////////////////// // Pull out a subgroup and project on to real coeffs x pauli basis ////////////////////////////////////////////////////////////////////////////////////////// template static void su2Extract( Lattice > &Determinant, Lattice > &subgroup, const Lattice > &source, int su2_index) { GridBase *grid(source._grid); conformable(subgroup,source); conformable(subgroup,Determinant); int i0,i1; su2SubGroupIndex(i0,i1,su2_index); PARALLEL_FOR_LOOP for(int ss=0;ssoSites();ss++){ subgroup._odata[ss]()()(0,0) = source._odata[ss]()()(i0,i0); subgroup._odata[ss]()()(0,1) = source._odata[ss]()()(i0,i1); subgroup._odata[ss]()()(1,0) = source._odata[ss]()()(i1,i0); subgroup._odata[ss]()()(1,1) = source._odata[ss]()()(i1,i1); iSU2Matrix Sigma = subgroup._odata[ss]; Sigma = Sigma-adj(Sigma)+trace(adj(Sigma)); subgroup._odata[ss] = Sigma; // this should be purely real Determinant._odata[ss] = Sigma()()(0,0)*Sigma()()(1,1) - Sigma()()(0,1)*Sigma()()(1,0); } } ////////////////////////////////////////////////////////////////////////////////////////// // Set matrix to one and insert a pauli subgroup ////////////////////////////////////////////////////////////////////////////////////////// template static void su2Insert( const Lattice > &subgroup, Lattice > &dest, int su2_index) { GridBase *grid(dest._grid); conformable(subgroup,dest); int i0,i1; su2SubGroupIndex(i0,i1,su2_index); dest = 1.0; // start out with identity PARALLEL_FOR_LOOP for(int ss=0;ssoSites();ss++){ dest._odata[ss]()()(i0,i0) = subgroup._odata[ss]()()(0,0); dest._odata[ss]()()(i0,i1) = subgroup._odata[ss]()()(0,1); dest._odata[ss]()()(i1,i0) = subgroup._odata[ss]()()(1,0); dest._odata[ss]()()(i1,i1) = subgroup._odata[ss]()()(1,1); } } /////////////////////////////////////////////// // Generate e^{ Re Tr Staple Link} dlink // // *** Note Staple should be appropriate linear compbination between all staples. // *** If already by beta pass coefficient 1.0. // *** This routine applies the additional 1/Nc factor that comes after trace in action. // /////////////////////////////////////////////// static void SubGroupHeatBath( GridSerialRNG &sRNG, GridParallelRNG &pRNG, RealD beta,//coeff multiplying staple in action (with no 1/Nc) LatticeMatrix &link, const LatticeMatrix &barestaple, // multiplied by action coeffs so th int su2_subgroup, int nheatbath, LatticeInteger &wheremask) { GridBase *grid = link._grid; int ntrials=0; int nfails=0; const RealD twopi=2.0*M_PI; LatticeMatrix staple(grid); staple = barestaple * (beta/ncolour); LatticeMatrix V(grid); V = link*staple; // Subgroup manipulation in the lie algebra space LatticeSU2Matrix u(grid); // Kennedy pendleton "u" real projected normalised Sigma LatticeSU2Matrix uinv(grid); LatticeSU2Matrix ua(grid); // a in pauli form LatticeSU2Matrix b(grid); // rotated matrix after hb // Some handy constant fields LatticeComplex ones (grid); ones = 1.0; LatticeComplex zeros(grid); zeros=zero; LatticeReal rones (grid); rones = 1.0; LatticeReal rzeros(grid); rzeros=zero; LatticeComplex udet(grid); // determinant of real(staple) LatticeInteger mask_true (grid); mask_true = 1; LatticeInteger mask_false(grid); mask_false= 0; /* PLB 156 P393 (1985) (Kennedy and Pendleton) Note: absorb "beta" into the def of sigma compared to KP paper; staple passed to this routine has "beta" already multiplied in Action linear in links h and of form: beta S = beta Sum_p (1 - 1/Nc Re Tr Plaq ) Writing Sigma = 1/Nc (beta Sigma') where sum over staples is "Sigma' " beta S = const - beta/Nc Re Tr h Sigma' = const - Re Tr h Sigma Decompose h and Sigma into (1, sigma_j) ; h_i real, h^2=1, Sigma_i complex arbitrary. Tr h Sigma = h_i Sigma_j Tr (sigma_i sigma_j) = h_i Sigma_j 2 delta_ij Re Tr h Sigma = 2 h_j Re Sigma_j Normalised re Sigma_j = xi u_j With u_j a unit vector and U can be in SU(2); Re Tr h Sigma = 2 h_j Re Sigma_j = 2 xi (h.u) 4xi^2 = Det [ Sig - Sig^dag + 1 Tr Sigdag] u = 1/2xi [ Sig - Sig^dag + 1 Tr Sigdag] xi = sqrt(Det)/2; Write a= u h in SU(2); a has pauli decomp a_j; Note: Product b' xi is unvariant because scaling Sigma leaves normalised vector "u" fixed; Can rescale Sigma so b' = 1. */ //////////////////////////////////////////////////////// // Real part of Pauli decomposition // Note a subgroup can project to zero in cold start //////////////////////////////////////////////////////// su2Extract(udet,u,V,su2_subgroup); ////////////////////////////////////////////////////// // Normalising this vector if possible; else identity ////////////////////////////////////////////////////// LatticeComplex xi(grid); LatticeSU2Matrix lident(grid); SU2Matrix ident = Complex(1.0); SU2Matrix pauli1; SU<2>::generator(0,pauli1); SU2Matrix pauli2; SU<2>::generator(1,pauli2); SU2Matrix pauli3; SU<2>::generator(2,pauli3); pauli1 = timesI(pauli1)*2.0; pauli2 = timesI(pauli2)*2.0; pauli3 = timesI(pauli3)*2.0; LatticeComplex cone(grid); LatticeReal adet(grid); adet = abs(toReal(udet)); lident=Complex(1.0); cone =Complex(1.0); Real machine_epsilon=1.0e-7; u = where(adet>machine_epsilon,u,lident); udet= where(adet>machine_epsilon,udet,cone); xi = 0.5*sqrt(udet); //4xi^2 = Det [ Sig - Sig^dag + 1 Tr Sigdag] u = 0.5*u*pow(xi,-1.0); // u = 1/2xi [ Sig - Sig^dag + 1 Tr Sigdag] // Debug test for sanity uinv=adj(u); b=u*uinv-1.0; assert(norm2(b)<1.0e-4); /* Measure: Haar measure dh has d^4a delta(1-|a^2|) In polars: da = da0 r^2 sin theta dr dtheta dphi delta( 1 - r^2 -a0^2) = da0 r^2 sin theta dr dtheta dphi delta( (sqrt(1-a0^) - r)(sqrt(1-a0^) + r) ) = da0 r/2 sin theta dr dtheta dphi delta( (sqrt(1-a0^) - r) ) Action factor Q(h) dh = e^-S[h] dh = e^{ xi Tr uh} dh // beta enters through xi = e^{2 xi (h.u)} dh = e^{2 xi h0u0}.e^{2 xi h1u1}.e^{2 xi h2u2}.e^{2 xi h3u3} dh Therefore for each site, take xi for that site i) generate |a0|<1 with dist (1-a0^2)^0.5 e^{2 xi a0 } da0 Take alpha = 2 xi = 2 xi [ recall 2 beta/Nc unmod staple norm]; hence 2.0/Nc factor in Chroma ] A. Generate two uniformly distributed pseudo-random numbers R and R', R'', R''' in the unit interval; B. Set X = -(ln R)/alpha, X' =-(ln R')/alpha; C. Set C = cos^2(2pi R"), with R" another uniform random number in [0,1] ; D. Set A = XC; E. Let d = X'+A; F. If R'''^2 :> 1 - 0.5 d, go back to A; G. Set a0 = 1 - d; Note that in step D setting B ~ X - A and using B in place of A in step E will generate a second independent a 0 value. */ ///////////////////////////////////////////////////////// // count the number of sites by picking "1"'s out of hat ///////////////////////////////////////////////////////// Integer hit=0; LatticeReal rtmp(grid); rtmp=where(wheremask,rones,rzeros); RealD numSites = sum(rtmp); RealD numAccepted; LatticeInteger Accepted(grid); Accepted = zero; LatticeInteger newlyAccepted(grid); std::vector xr(4,grid); std::vector a(4,grid); LatticeReal d(grid); d=zero; LatticeReal alpha(grid); // std::cout< 1 - 0.5 d, go back to A; LatticeReal thresh(grid); thresh = 1.0-d*0.5; xrsq = xr[0]*xr[0]; LatticeInteger ione(grid); ione = 1; LatticeInteger izero(grid); izero=zero; newlyAccepted = where ( xrsq < thresh,ione,izero); Accepted = where ( newlyAccepted, newlyAccepted,Accepted); Accepted = where ( wheremask, Accepted,izero); // FIXME need an iSum for integer to avoid overload on return type?? rtmp=where(Accepted,rones,rzeros); numAccepted = sum(rtmp); hit++; } while ( (numAccepted < numSites) && ( hit < nheatbath) ); // G. Set a0 = 1 - d; a[0]=zero; a[0]=where(wheremask,1.0-d,a[0]); ////////////////////////////////////////// // ii) generate a_i uniform on two sphere radius (1-a0^2)^0.5 ////////////////////////////////////////// LatticeReal a123mag(grid); a123mag = sqrt(abs(1.0-a[0]*a[0])); LatticeReal cos_theta (grid); LatticeReal sin_theta (grid); LatticeReal phi (grid); random(pRNG,phi); phi = phi * twopi; // uniform in [0,2pi] random(pRNG,cos_theta); cos_theta=(cos_theta*2.0)-1.0; // uniform in [-1,1] sin_theta = sqrt(abs(1.0-cos_theta*cos_theta)); a[1] = a123mag * sin_theta * cos(phi); a[2] = a123mag * sin_theta * sin(phi); a[3] = a123mag * cos_theta; ua = toComplex(a[0])*ident + toComplex(a[1])*pauli1 + toComplex(a[2])*pauli2 + toComplex(a[3])*pauli3; b = 1.0; b = where(wheremask,uinv*ua,b); su2Insert(b,V,su2_subgroup); //mask the assignment back based on Accptance link = where(Accepted,V * link,link); ////////////////////////////// // Debug Checks // SU2 check LatticeSU2Matrix check(grid); // rotated matrix after hb u = zero; check = ua * adj(ua) - 1.0; check = where(Accepted,check,u); assert(norm2(check)<1.0e-4); check = b*adj(b)-1.0; check = where(Accepted,check,u); assert(norm2(check)<1.0e-4); LatticeMatrix Vcheck(grid); Vcheck = zero; Vcheck = where(Accepted,V*adj(V) - 1.0,Vcheck); // std::cout<(out,Umu,mu); } } static void TepidConfiguration(GridParallelRNG &pRNG,LatticeGaugeField &out){ LatticeMatrix Umu(out._grid); for(int mu=0;mu(out,Umu,mu); } } static void ColdConfiguration(GridParallelRNG &pRNG,LatticeGaugeField &out){ LatticeMatrix Umu(out._grid); Umu=1.0; for(int mu=0;mu(out,Umu,mu); } } static void taProj( const LatticeMatrix &in, LatticeMatrix &out){ out = Ta(in); } static void taExp( const LatticeMatrix &x, LatticeMatrix &ex){ LatticeMatrix xn(x._grid); RealD nfac = 1.0; xn = x; ex =xn+Complex(1.0); // 1+x // Do a 12th order exponentiation for(int i=2; i <= 12; ++i) { nfac = nfac/RealD(i); //1/2, 1/2.3 ... xn = xn * x; // x2, x3,x4.... ex = ex+ xn*nfac;// x2/2!, x3/3!.... } } }; typedef SU<2> SU2; typedef SU<3> SU3; typedef SU<4> SU4; typedef SU<5> SU5; } } #endif