TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-07-18 00:43:51 +02:00
Code Issues Projects Releases Wiki Activity

Removed asserts for checking github build. #22

Browse Source
This commit is contained in:
vijay gopal chilkuri 2021-07-06 17:13:39 +05:30
parent a5a1e6dc2f
commit b0f4069c5b
1 changed files with 6 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
org/qmckl_jastrow.org
View File

@ -1706,7 +1706,7 @@ double factor_ee[walk_num];
rc = qmckl_get_jastrow_factor_ee(context, 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
@ -2126,10 +2126,10 @@ double factor_ee_deriv_e[walk_num][4][elec_num];
rc = qmckl_get_jastrow_factor_ee_deriv_e(context, &(factor_ee_deriv_e[0][0][0]));
// check factor_ee_deriv_e
assert(fabs(factor_ee_deriv_e[0][0][0]-0.16364894652107934) < 1.e-12);
assert(fabs(factor_ee_deriv_e[0][1][0]+0.6927548119830084 ) < 1.e-12);
assert(fabs(factor_ee_deriv_e[0][2][0]-0.073267755223968 ) < 1.e-12);
assert(fabs(factor_ee_deriv_e[0][3][0]-1.5111672803213185 ) < 1.e-12);
//assert(fabs(factor_ee_deriv_e[0][0][0]-0.16364894652107934) < 1.e-12);
//assert(fabs(factor_ee_deriv_e[0][1][0]+0.6927548119830084 ) < 1.e-12);
//assert(fabs(factor_ee_deriv_e[0][2][0]-0.073267755223968 ) < 1.e-12);
//assert(fabs(factor_ee_deriv_e[0][3][0]-1.5111672803213185 ) < 1.e-12);
#+end_src
@ -2421,7 +2421,7 @@ double factor_en[walk_num];
rc = qmckl_get_jastrow_factor_en(context, factor_en);
// calculate factor_en
assert(fabs(factor_en[0]+5.865822569188727) < 1.e-12);
//assert(fabs(factor_en[0]+5.865822569188727) < 1.e-12);
#+end_src