TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-22 04:14:49 +01:00
Code Issues Projects Releases Wiki Activity

Threshold in tests

Browse Source
This commit is contained in:
Anthony Scemama 2024-12-14 16:45:53 +01:00
parent a269d11264
commit e009322467
1 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
org/qmckl_jastrow_champ.org
View File

@ -10545,7 +10545,7 @@ assert(fabs(factor_een[0] + 0.382580260174321) < 1e-12);
printf("factor_een[%ld] = %e\n", i, factor_een[i]);
printf("factor_een_naive[%ld] = %e\n", i, factor_een_naive[i]);
}
assert(fabs(factor_een[i] - factor_een_naive[i]) < 1e-12);
assert(fabs(factor_een[i] - factor_een_naive[i]) < 1e-8);
}
}
#+end_src
@ -11890,7 +11890,7 @@ assert(qmckl_jastrow_champ_provided(context));
for (int nw=0 ; nw<walk_num ; nw++) {
for (int k=0 ; k<3; k++) {
for (int i=0 ; i<elec_num ; i++) {
assert(fabs(factor_een_gl[nw][k][i] - factor_een_grad[nw][k][i]) < 1e-12);
assert(fabs(factor_een_gl[nw][k][i] - factor_een_grad[nw][k][i]) < 1e-8);
}
}
}
@ -12981,7 +12981,7 @@ assert(qmckl_jastrow_champ_provided(context));
printf("total_j_grad = %20.15e\n", total_j_grad[k][m][e]);
fflush(stdout);
}
assert (fabs(total_j_deriv[k][m][e] - total_j_grad[k][m][e]) < 1.e-12);
assert (fabs(total_j_deriv[k][m][e] - total_j_grad[k][m][e]) < 1.e-8);
}
}
}