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Fix Jastrow test

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q-posev 2022-07-11 10:09:34 +02:00
parent b8f0142597
commit cdd3d91e3a
1 changed files with 0 additions and 2 deletions
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org/qmckl_jastrow.org
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@ -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); 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); assert(fabs(dtmp_c[0][1][0][0][0][0] - 0.237440520852232) < 1e-12);
return QMCKL_SUCCESS;
#+end_src #+end_src
** Electron-electron-nucleus Jastrow \(f_{een}\) ** 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); rc = qmckl_get_jastrow_factor_een(context, &(factor_een[0]),walk_num);
assert(fabs(factor_een[0] + 0.37407972141304213) < 1e-12); assert(fabs(factor_een[0] + 0.37407972141304213) < 1e-12);
return QMCKL_SUCCESS;
#+end_src #+end_src
** Electron-electron-nucleus Jastrow \(f_{een}\) derivative ** Electron-electron-nucleus Jastrow \(f_{een}\) derivative