mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-07 22:53:52 +01:00
398 lines
8.0 KiB
Fortran
398 lines
8.0 KiB
Fortran
double precision function binom_func(i,j)
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implicit none
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BEGIN_DOC
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!.. math ::
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!
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! \frac{i!}{j!(i-j)!}
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!
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END_DOC
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integer,intent(in) :: i,j
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double precision :: logfact
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integer, save :: ifirst
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double precision, save :: memo(0:15,0:15)
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!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: memo
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integer :: k,l
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if (ifirst == 0) then
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ifirst = 1
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do k=0,15
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do l=0,15
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memo(k,l) = dexp( logfact(k)-logfact(l)-logfact(k-l) )
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enddo
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enddo
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endif
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if ( (i<=15).and.(j<=15) ) then
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binom_func = memo(i,j)
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else
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binom_func = dexp( logfact(i)-logfact(j)-logfact(i-j) )
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endif
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end
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BEGIN_PROVIDER [ double precision, binom, (0:40,0:40) ]
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&BEGIN_PROVIDER [ double precision, binom_transp, (0:40,0:40) ]
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implicit none
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BEGIN_DOC
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! Binomial coefficients
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END_DOC
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integer :: k,l
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double precision :: logfact
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do k=0,40
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do l=0,40
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binom(k,l) = dexp( logfact(k)-logfact(l)-logfact(k-l) )
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binom_transp(l,k) = binom(k,l)
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ integer*8, binom_int, (0:40,0:40) ]
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&BEGIN_PROVIDER [ integer*8, binom_int_transp, (0:40,0:40) ]
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implicit none
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BEGIN_DOC
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! Binomial coefficients, as integers*8
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END_DOC
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integer :: k,l
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double precision :: logfact
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do l=0,40
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do k=0,40
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binom_int(k,l) = int(binom(k,l)+0.1d0,8)
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enddo
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enddo
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END_PROVIDER
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double precision function fact(n)
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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
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double precision, save :: memo(1:100)
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integer, save :: memomax = 1
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if (n<=memomax) then
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if (n<2) then
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fact = 1.d0
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else
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fact = memo(n)
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endif
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return
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endif
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integer :: i
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memo(1) = 1.d0
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do i=memomax+1,min(n,100)
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memo(i) = memo(i-1)*dble(i)
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enddo
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memomax = min(n,100)
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double precision :: logfact
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fact = dexp(logfact(n))
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end function
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double precision function logfact(n)
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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
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double precision, save :: memo(1:100)
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integer, save :: memomax = 1
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if (n<=memomax) then
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if (n<2) then
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logfact = 0.d0
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else
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logfact = memo(n)
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endif
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return
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endif
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integer :: i
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memo(1) = 0.d0
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do i=memomax+1,min(n,100)
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memo(i) = memo(i-1)+dlog(dble(i))
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enddo
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memomax = min(n,100)
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logfact = memo(memomax)
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do i=101,n
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logfact += dlog(dble(i))
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enddo
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end function
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BEGIN_PROVIDER [ double precision, fact_inv, (128) ]
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implicit none
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BEGIN_DOC
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! 1/n!
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END_DOC
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integer :: i
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double precision :: fact
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do i=1,size(fact_inv)
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fact_inv(i) = 1.d0/fact(i)
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enddo
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END_PROVIDER
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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_even, 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_even(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_even(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(0:100)
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integer, save :: memomax = 0
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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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!
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if (n <= memomax) then
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if (n < 2) then
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fact2 = 1.d0
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else
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fact2 = memo(n)
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endif
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return
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endif
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integer :: i
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memo(0)=1.d0
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memo(1)=1.d0
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do i=memomax+2,min(n,100),2
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memo(i) = memo(i-2)* dble(i)
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enddo
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memomax = min(n,100)
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fact2 = memo(memomax)
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if (n > 100) then
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double precision :: dble_logfact
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fact2 = dexp(dble_logfact(n))
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endif
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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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END_DOC
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integer :: n
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double precision, save :: memo(1:100)
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integer, save :: memomax = 1
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ASSERT (iand(n,1) /= 0)
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if (n<=memomax) then
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if (n<3) then
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fact2 = 1.d0
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else
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fact2 = memo(n)
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endif
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return
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endif
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integer :: i
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memo(1) = 1.d0
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do i=memomax+2,min(n,99),2
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memo(i) = memo(i-2)* dble(i)
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enddo
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memomax = min(n,99)
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fact2 = memo(memomax)
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if (n > 99) then
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double precision :: dble_logfact
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fact2 = dexp(dble_logfact(n))
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endif
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end function
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double precision function dble_logfact(n) result(logfact2)
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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
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integer :: k
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double precision :: prod
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prod=0.d0
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do k=2,n,2
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prod=prod+dlog(dfloat(k))
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enddo
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logfact2=prod
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return
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end function
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subroutine write_git_log(iunit)
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implicit none
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BEGIN_DOC
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! Write the last git commit in file iunit.
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END_DOC
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integer, intent(in) :: iunit
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write(iunit,*) '----------------'
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write(iunit,*) 'Last git commit:'
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BEGIN_SHELL [ /bin/bash ]
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git log -1 2>/dev/null | sed "s/'//g"| sed "s/^/ write(iunit,*) '/g" | sed "s/$/'/g" || echo "Unknown"
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END_SHELL
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write(iunit,*) '----------------'
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end
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BEGIN_PROVIDER [ double precision, inv_int, (128) ]
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implicit none
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BEGIN_DOC
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! 1/i
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END_DOC
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integer :: i
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do i=1,128
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inv_int(i) = 1.d0/dble(i)
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enddo
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END_PROVIDER
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subroutine wall_time(t)
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implicit none
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BEGIN_DOC
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! The equivalent of cpu_time, but for the wall time.
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END_DOC
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double precision, intent(out) :: t
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integer*8 :: c
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integer*8, save :: rate = 0
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if (rate == 0) then
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CALL SYSTEM_CLOCK(count_rate=rate)
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endif
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CALL SYSTEM_CLOCK(count=c)
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t = dble(c)/dble(rate)
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end
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BEGIN_PROVIDER [ integer, nproc ]
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implicit none
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BEGIN_DOC
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! Number of current OpenMP threads
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END_DOC
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integer :: omp_get_num_threads
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nproc = 1
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!$OMP PARALLEL
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!$OMP MASTER
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!$ nproc = omp_get_num_threads()
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!$OMP END MASTER
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!$OMP END PARALLEL
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END_PROVIDER
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double precision function u_dot_v(u,v,sze)
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implicit none
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BEGIN_DOC
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! Compute <u|v>
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END_DOC
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integer, intent(in) :: sze
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double precision, intent(in) :: u(sze),v(sze)
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double precision, external :: ddot
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!DIR$ FORCEINLINE
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u_dot_v = ddot(sze,u,1,v,1)
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end
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double precision function u_dot_u(u,sze)
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implicit none
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BEGIN_DOC
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! Compute <u|u>
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END_DOC
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integer, intent(in) :: sze
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double precision, intent(in) :: u(sze)
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double precision, external :: ddot
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!DIR$ FORCEINLINE
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u_dot_u = ddot(sze,u,1,u,1)
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end
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subroutine normalize(u,sze)
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implicit none
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BEGIN_DOC
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! Normalizes vector u
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END_DOC
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integer, intent(in) :: sze
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double precision, intent(inout):: u(sze)
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double precision :: d
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double precision, external :: dnrm2
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integer :: i
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!DIR$ FORCEINLINE
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d = dnrm2(sze,u,1)
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if (d /= 0.d0) then
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d = 1.d0/d
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endif
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if (d /= 1.d0) then
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!DIR$ FORCEINLINE
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call dscal(sze,d,u,1)
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endif
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end
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double precision function approx_dble(a,n)
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implicit none
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integer, intent(in) :: n
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double precision, intent(in) :: a
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double precision :: f
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integer :: i
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if (a == 0.d0) then
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approx_dble = 0.d0
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return
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endif
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f = 1.d0
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do i=1,-int(dlog10(dabs(a)))+n
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f = f*.1d0
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enddo
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do i=1,int(dlog10(dabs(a)))-n
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f = f*10.d0
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enddo
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approx_dble = dnint(a/f)*f
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end
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subroutine lowercase(txt,n)
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implicit none
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BEGIN_DOC
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! Transform to lower case
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END_DOC
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character*(*), intent(inout) :: txt
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integer, intent(in) :: n
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character( * ), PARAMETER :: LOWER_CASE = 'abcdefghijklmnopqrstuvwxyz'
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character( * ), PARAMETER :: UPPER_CASE = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
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integer :: i, ic
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do i=1,n
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ic = index( UPPER_CASE, txt(i:i) )
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if (ic /= 0) then
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txt(i:i) = LOWER_CASE(ic:ic)
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endif
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enddo
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end
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