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https://github.com/LCPQ/quantum_package
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Optimise a litle the pseudo(10-20%)
This commit is contained in:
Thomas Applencourt
parent
92258bb7a3
commit
17155b5ec1
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@ -800,13 +800,13 @@ end
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double precision function bigA(i,j,k)
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implicit none
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integer i,j,k
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double precision fourpi,dblefact
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double precision fourpi,dble_fact
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fourpi=4.d0*dacos(-1.d0)
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bigA=0.d0
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if(mod(i,2).eq.1)return
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if(mod(j,2).eq.1)return
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if(mod(k,2).eq.1)return
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bigA=fourpi*dblefact(i-1)*dblefact(j-1)*dblefact(k-1)/dblefact(i+j+k+1)
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bigA=fourpi*dble_fact(i-1)*dble_fact(j-1)*dble_fact(k-1)/dble_fact(i+j+k+1)
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end
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!!
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!! I_{lambda,mu,l,m}^{k1,k2,k3} = /int dOmega Y_{lambda mu} xchap^k1 ychap^k2 zchap^k3 Y_{lm}
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@ -996,10 +996,10 @@ end
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double precision function crochet(n,g)
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implicit none
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integer n
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double precision g,pi,dblefact,expo
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double precision g,pi,dble_fact,expo
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pi=dacos(-1.d0)
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expo=0.5d0*dfloat(n+1)
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crochet=dblefact(n-1)/(2.d0*g)**expo
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crochet=dble_fact(n-1)/(2.d0*g)**expo
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if(mod(n,2).eq.0)crochet=crochet*dsqrt(pi/2.d0)
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end
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@ -1431,30 +1431,6 @@ end
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stop
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end
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double precision function dblefact(n)
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implicit none
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integer :: n,k
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double precision prod
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dblefact=1.d0
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if(n.lt.0)return
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if(mod(n,2).eq.1)then
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prod=1.d0
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do k=1,n,2
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prod=prod*dfloat(k)
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enddo
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dblefact=prod
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return
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endif
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if(mod(n,2).eq.0)then
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prod=1.d0
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do k=2,n,2
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prod=prod*dfloat(k)
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enddo
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dblefact=prod
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return
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endif
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end
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!!
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!! R_{lambda,lamba',N}= exp(-ga_a AC**2 -g_b BC**2) /int_{0}{+infty} r**(2+n) exp(-(g_a+g_b+g_k)r**2)
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!! * M_{lambda}( 2g_a ac r) M_{lambda'}(2g_b bc r)
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@ -1510,10 +1486,10 @@ end
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double precision function bessel_mod_exp(n,x)
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implicit none
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integer n,k
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double precision x,coef,accu,fact,dblefact
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double precision x,coef,accu,fact,dble_fact
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accu=0.d0
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do k=0,10
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coef=1.d0/fact(k)/dblefact(2*(n+k)+1)
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coef=1.d0/fact(k)/dble_fact(2*(n+k)+1)
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accu=accu+(x**2/2.d0)**k*coef
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enddo
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bessel_mod_exp=x**n*accu
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@ -1835,22 +1811,6 @@ double precision function binom_gen(alpha,n)
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enddo
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end
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recursive function fact1(n,a) result(x)
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implicit none
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integer n
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double precision a,x,erf
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if(n.eq.0)then
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x=dsqrt(dacos(-1.d0))/2.d0*erf(a)
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return
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endif
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if(n.eq.1)then
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x=1.d0-dexp(-a**2)
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return
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endif
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if(mod(n,2).eq.0)x=0.5d0*dfloat(n-1)*fact1(n-2,a)+a**n*dexp(-a**2)
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if(mod(n,2).eq.1)x=0.5d0*dfloat(n-1)*fact1(n-2,a)+0.5d0*a**(n-1)*dexp(-a**2)
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end
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double precision FUNCTION ERF(X)
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implicit double precision(a-h,o-z)
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IF(X.LT.0.d0)THEN
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@ -1863,15 +1823,71 @@ end
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double precision function coef_nk(n,k)
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implicit none
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integer n,k
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double precision gam,dblefact,fact
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integer n,k, ISHFT
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double precision gam,dble_fact,fact
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double precision, save :: store_result(0:2,0:10)
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integer, save :: ifirst
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if (ifirst == 0) then
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ifirst =1
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if(k.GE.80) then
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coef_nk = 0.d0
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else
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gam=dblefact(2*(n+k)+1)
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coef_nk=1.d0/(2.d0**k*fact(k)*gam)
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endif
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store_result(0, 0) = 1.00000000000000d0
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store_result(0, 1) = 0.166666666666667d0
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store_result(0, 2) = 8.333333333333333d-3
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store_result(0, 3) = 1.984126984126984d-4
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store_result(0, 4) = 2.755731922398589d-6
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store_result(0, 5) = 2.505210838544172d-8
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store_result(0, 6) = 1.605904383682161d-10
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store_result(0, 7) = 7.647163731819816d-13
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store_result(0, 8) = 2.811457254345521d-15
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store_result(0, 9) = 8.220635246624329d-018
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store_result(0,10) = 1.957294106339126d-020
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store_result(1, 0) = 0.333333333333333d0
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store_result(1, 1) = 3.333333333333333d-002
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store_result(1, 2) = 1.190476190476191d-003
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store_result(1, 3) = 2.204585537918871d-005
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store_result(1, 4) = 2.505210838544172d-007
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store_result(1, 5) = 1.927085260418594d-009
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store_result(1, 6) = 1.070602922454774d-011
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store_result(1, 7) = 4.498331606952833d-014
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store_result(1, 8) = 1.479714344392379d-016
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store_result(1, 9) = 3.914588212678252d-019
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store_result(1,10) = 8.509974375387505d-022
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store_result(2, 0) = 6.666666666666667d-002
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store_result(2, 1) = 4.761904761904762d-003
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store_result(2, 2) = 1.322751322751323d-004
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store_result(2, 3) = 2.004168670835337d-006
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store_result(2, 4) = 1.927085260418594d-008
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store_result(2, 5) = 1.284723506945729d-010
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store_result(2, 6) = 6.297664249733966d-013
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store_result(2, 7) = 2.367542951027807d-015
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store_result(2, 8) = 7.046258782820854d-018
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store_result(2, 9) = 1.701994875077501d-020
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store_result(2,10) = 3.403989750155002d-023
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if (n.LE.2) then
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if (k.LE.10) then
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coef_nk = store_result(n,k)
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return
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endif
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endif
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if ((n+k).GE.30) then
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coef_nk = 0.d0
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return
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endif
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gam=dble_fact(2*(n+k)+1)
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coef_nk=1.d0/(dble(ISHFT(1,k))*fact(k)*gam)
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return
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end
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!! Calculation of
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@ -1885,7 +1901,7 @@ double precision function int_prod_bessel(l,gam,n,m,a,b,arg)
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implicit none
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integer n,k,m,q,l,kcp
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double precision gam,dblefact,fact,pi,a,b
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double precision gam,dble_fact,fact,pi,a,b
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double precision int,intold,sum,coef_nk,crochet,u,int_prod_bessel_large,freal,arg
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double precision dump
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@ -134,7 +134,46 @@ BEGIN_PROVIDER [ double precision, fact_inv, (128) ]
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enddo
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END_PROVIDER
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double precision function dble_fact(n) result(fact2)
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double precision function dble_fact(n)
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implicit none
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integer :: n
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double precision :: dble_fact_peer, dble_fact_odd
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dble_fact = 1.d0
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if(n.lt.0) return
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if(iand(n,1).eq.0)then
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dble_fact = dble_fact_peer(n)
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else
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dble_fact= dble_fact_odd(n)
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endif
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end function
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double precision function dble_fact_peer(n) result(fact2)
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implicit none
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BEGIN_DOC
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! n!!
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END_DOC
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integer :: n,k
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double precision, save :: memo(1:100)
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integer, save :: memomax = 2
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double precision :: prod
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ASSERT (iand(n,1) /= 1)
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prod=1.d0
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do k=2,n,2
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prod=prod*dfloat(k)
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enddo
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fact2=prod
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return
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end function
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double precision function dble_fact_odd(n) result(fact2)
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implicit none
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BEGIN_DOC
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! n!!
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