Corrected bug in pseudo

plugins/MRCC_Utils/mrcc_dress.irp.f

@@ -53,7 +53,6 @@ subroutine mrcc_dress(delta_ij_, delta_ii_, Nstates, Ndet_non_ref, Ndet_ref,i_ge
   integer :: mobiles(2), smallerlist
   logical, external :: is_generable
   
-  print *, i_generator
   leng = max(N_det_generators, N_det_non_ref)
   allocate(miniList(Nint, 2, leng), idx_minilist(leng), hij_cache(N_det_non_ref))
   

src/Integrals_Monoelec/pseudopot.f90

@@ -282,8 +282,7 @@ if(ac.eq.0.d0.and.bc.eq.0.d0)then
     if (prod == 0.d0) cycle
     prodp=bigI(0,0,l,m,n_b(1),n_b(2),n_b(3))
     if (prodp == 0.d0) cycle
-    accu=accu+prod*prodp*v_kl(k,l)*int_prod_bessel(ktot+2,g_a+g_b+dz_kl(k,l),0,0,areal,breal,arg)
-
+     accu=accu+prod*prodp*v_kl(k,l)*int_prod_bessel(ktot+2,g_a+g_b+dz_kl(k,l),0,0,areal,breal,arg)
    enddo
   enddo
  enddo
@@ -1829,13 +1828,15 @@ end
 
 double precision function coef_nk(n,k)
   implicit none
-  integer n,k, ISHFT
+  integer n,k
 
   double precision gam,dble_fact,fact
 
+  if (k<0) stop 'pseudopot.f90 : coef_nk'
+  if (k>63) stop 'pseudopot.f90 : coef_nk'
   gam=dble_fact(n+n+k+k+1)
 !  coef_nk=1.d0/(2.d0**k*fact(k)*gam)
-  coef_nk=1.d0/(dble(ibset(0,k))*fact(k)*gam)
+  coef_nk=1.d0/(dble(ibset(0_8,k))*fact(k)*gam)
   
   return
 

src/Utils/util.irp.f

@@ -156,12 +156,19 @@ double precision function dble_fact_even(n) result(fact2)
   ! n!!
   END_DOC
   integer                        :: n,k
-  double precision, save         :: memo(1:100)
-  integer, save                  :: memomax = 2
+  double precision, save         :: memo(0:100)
+  integer, save                  :: memomax = 0
   double precision               :: prod
 
   ASSERT (iand(n,1) /= 1)
 
+!  prod=1.d0
+!  do k=2,n,2
+!   prod=prod*dfloat(k)
+!  enddo
+!  fact2=prod
+!  return
+!
   if (n <= memomax) then
     if (n < 2) then
       fact2 = 1.d0
@@ -172,6 +179,7 @@ double precision function dble_fact_even(n) result(fact2)
   endif
 
   integer                        :: i
+  memo(0)=1.d0
   memo(1)=1.d0
   do i=memomax+2,min(n,100),2
     memo(i) = memo(i-2)* dble(i)