TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-11-19 20:42:50 +01:00
Code Issues Projects Releases Wiki Activity

Fix Jastrow test

Browse Source
This commit is contained in:
q-posev 2022-07-11 10:09:34 +02:00
parent b8f0142597
commit cdd3d91e3a
1 changed files with 0 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
org/qmckl_jastrow.org
View File

@ -6942,7 +6942,6 @@ assert(fabs(tmp_c[0][0][1][0][0] - 2.7083473948352403) < 1e-12);
printf("%e\n%e\n", tmp_c[0][1][0][0][0],0.237440520852232);
assert(fabs(dtmp_c[0][1][0][0][0][0] - 0.237440520852232) < 1e-12);
return QMCKL_SUCCESS;
#+end_src
** Electron-electron-nucleus Jastrow \(f_{een}\)
@ -7441,7 +7440,6 @@ double factor_een[walk_num];
rc = qmckl_get_jastrow_factor_een(context, &(factor_een[0]),walk_num);
assert(fabs(factor_een[0] + 0.37407972141304213) < 1e-12);
return QMCKL_SUCCESS;
#+end_src
** Electron-electron-nucleus Jastrow \(f_{een}\) derivative