TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-06-30 00:44:52 +02:00
Code Issues Projects Releases Wiki Activity

Testing - VII. #22

Browse Source
This commit is contained in:
vijay gopal chilkuri 2021-07-07 22:02:27 +05:30
parent 0391efe5b8
commit a09c29eb64
1 changed files with 11 additions and 11 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

22
org/qmckl_jastrow.org
View File

@ -1423,10 +1423,10 @@ rc = qmckl_set_jastrow_dependencies(context);
assert(rc == QMCKL_SUCCESS); 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);
@ -1721,14 +1721,14 @@ print("factor_ee :",factor_ee)
#+begin_src c :tangle (eval c_test) #+begin_src c :tangle (eval c_test)
///* Check if Jastrow is properly initialized */ /* Check if Jastrow is properly initialized */
//assert(qmckl_jastrow_provided(context)); assert(qmckl_jastrow_provided(context));
//
//double factor_ee[walk_num]; double factor_ee[walk_num];
//rc = qmckl_get_jastrow_factor_ee(context, factor_ee); rc = qmckl_get_jastrow_factor_ee(context, factor_ee);
//
//// calculate factor_ee // calculate factor_ee
//assert(fabs(factor_ee[0]+4.282760865958113) < 1.e-12); assert(fabs(factor_ee[0]+4.282760865958113) < 1.e-12);
#+end_src #+end_src