1
0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-06-30 00:44:52 +02:00

Testing - III. #22

This commit is contained in:
vijay gopal chilkuri 2021-07-07 20:48:49 +05:30
parent 478ce7cc38
commit 49a3b3d414

View File

@ -1424,13 +1424,13 @@ assert(rc == QMCKL_SUCCESS);
/* Check if Jastrow is properly initialized */
assert(qmckl_jastrow_provided(context));
//
//double asymp_jasb[2];
//rc = qmckl_get_jastrow_asymp_jasb(context, asymp_jasb);
//
//// calculate asymp_jasb
//assert(fabs(asymp_jasb[0]-0.5323750557252571) < 1.e-12);
//assert(fabs(asymp_jasb[1]-0.31567342786262853) < 1.e-12);
double asymp_jasb[2];
rc = qmckl_get_jastrow_asymp_jasb(context, asymp_jasb);
// calculate asymp_jasb
assert(fabs(asymp_jasb[0]-0.5323750557252571) < 1.e-12);
assert(fabs(asymp_jasb[1]-0.31567342786262853) < 1.e-12);
#+end_src