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Little optimizations

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This commit is contained in:
Anthony Scemama 2016-07-27 14:05:51 +02:00
parent e681b7c37d
commit f1d5782aef
1 changed files with 5 additions and 5 deletions
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src/Integrals_Monoelec/pseudopot.f90
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@ -1068,7 +1068,7 @@ integer n
double precision g,dble_fact,expo
double precision, parameter :: sq_pi_ov_2=dsqrt(dacos(-1.d0)*0.5d0)
expo=0.5d0*dfloat(n+1)
crochet=dble_fact(n-1)/(2.d0*g)**expo
crochet=dble_fact(n-1)/(g+g)**expo
if(mod(n,2).eq.0)crochet=crochet*sq_pi_ov_2
end
@ -1840,8 +1840,8 @@ double precision function int_prod_bessel(l,gam,n,m,a,b,arg)
int=0.d0
done=.false.
n_1 = 2*(n)+1
m_1 = 2*m+1
n_1 = n+n+1
m_1 = m+m+1
nlm = n+m+l
pi=dacos(-1.d0)
a_over_b_square = (a/b)**2
@ -1892,7 +1892,7 @@ double precision function int_prod_bessel(l,gam,n,m,a,b,arg)
!Compute the s_q+1_0
! s_q_0=s_q_0*(2.d0*q+nlm+1)*b**2/((2.d0*(m+q)+3)*4.d0*(q+1)*gam)
s_q_0=s_q_0*(2.d0*q+nlm+1)*b*b/((8.d0*(m+q)+12.d0)*(q+1)*gam)
s_q_0=s_q_0*(q+q+nlm+1)*b*b/(dble(8*(m+q)+12)*(q+1)*gam)
if(mod(n+m+l,2).eq.1)s_q_0=s_q_0*dsqrt(pi*.5d0)
! Increment q
@ -1933,7 +1933,7 @@ double precision function int_prod_bessel_large(l,gam,n,m,a,b,arg)
double precision xq(100),wq(100)
u=(a+b)/(2.d0*dsqrt(gam))
factor=dexp(u**2-arg)/dsqrt(gam)
factor=dexp(u*u-arg)/dsqrt(gam)
xq(1)= 5.38748089001123
xq(2)= 4.60368244955074