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Fixed bug in bord_vector dimension. #22

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vijay gopal chilkuri 2021-07-08 11:30:07 +05:30
parent 1821089880
commit dcff0cf4b4
1 changed files with 3 additions and 3 deletions
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org/qmckl_jastrow.org
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@ -1288,7 +1288,7 @@ integer function qmckl_compute_asymp_jasb_f(context, bord_num, bord_vector, resc
implicit none implicit none
integer(qmckl_context), intent(in) :: context integer(qmckl_context), intent(in) :: context
integer*8 , intent(in) :: bord_num integer*8 , intent(in) :: bord_num
double precision , intent(in) :: bord_vector(bord_num) double precision , intent(in) :: bord_vector(bord_num + 1)
double precision , intent(in) :: rescale_factor_kappa_ee double precision , intent(in) :: rescale_factor_kappa_ee
double precision , intent(out) :: asymp_jasb(2) double precision , intent(out) :: asymp_jasb(2)
@ -1425,8 +1425,8 @@ assert(rc == QMCKL_SUCCESS);
/* Check if Jastrow is properly initialized */ /* Check if Jastrow is properly initialized */
assert(qmckl_jastrow_provided(context)); assert(qmckl_jastrow_provided(context));
//double asymp_jasb[2]; double asymp_jasb[2];
//rc = qmckl_get_jastrow_asymp_jasb(context, asymp_jasb); rc = qmckl_get_jastrow_asymp_jasb(context, asymp_jasb);
//// calculate asymp_jasb //// calculate asymp_jasb
//assert(fabs(asymp_jasb[0]-0.5323750557252571) < 1.e-12); //assert(fabs(asymp_jasb[0]-0.5323750557252571) < 1.e-12);