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

Debugging CI

Browse Source
This commit is contained in:
Anthony Scemama 2024-12-13 15:18:45 +01:00
parent 29877ee1e5
commit 73a1603138
1 changed files with 10 additions and 10 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

20
org/qmckl_jastrow_champ.org
View File

@ -2184,8 +2184,8 @@ rc = qmckl_check(context,
0,
&(asymp_jasb_hpc[0]) )
);
assert(fabs(asymp_jasb_doc[0]-asymp_jasb_hpc[0]) < 1.e-12);
assert(fabs(asymp_jasb_doc[1]-asymp_jasb_hpc[1]) < 1.e-12);
assert(fabs(asymp_jasb_doc[0]-asymp_jasb_hpc[0]) < 1.e-8);
assert(fabs(asymp_jasb_doc[1]-asymp_jasb_hpc[1]) < 1.e-8);
#+end_src
@ -2567,7 +2567,7 @@ assert(qmckl_electron_provided(context));
assert(rc == QMCKL_SUCCESS);
for (int64_t i=0 ; i<walk_num*elec_num*elec_num*(cord_num+1) ; i++) {
assert(fabs(ee_distance_rescaled_hpc[i] - ee_distance_rescaled_doc[i]) < 1.e-12);
assert(fabs(ee_distance_rescaled_hpc[i] - ee_distance_rescaled_doc[i]) < 1.e-10);
}
}
#+end_src
@ -2989,7 +2989,7 @@ assert(qmckl_electron_provided(context));
assert(rc == QMCKL_SUCCESS);
for (int i = 0; i < walk_num*nucl_num*elec_num*4; i++) {
assert(fabs(ee_distance_rescaled_gl_doc[i] - ee_distance_rescaled_gl_hpc[i]) < 1.e-12);
assert(fabs(ee_distance_rescaled_gl_doc[i] - ee_distance_rescaled_gl_hpc[i]) < 1.e-8);
}
}
@ -3543,7 +3543,7 @@ assert(qmckl_jastrow_champ_provided(context));
assert (rc == QMCKL_SUCCESS);
for (int64_t i = 0; i < walk_num; i++) {
assert(fabs(factor_ee_doc[i] - factor_ee_hpc[i]) < 1.e-12);
assert(fabs(factor_ee_doc[i] - factor_ee_hpc[i]) < 1.e-8);
}
}
#+end_src
@ -4310,7 +4310,7 @@ assert(qmckl_jastrow_champ_provided(context));
for (int64_t i = 0 ; i < walk_num*4*elec_num ; i++) {
printf("%ld %f %f\n", i, factor_ee_gl_hpc[i], factor_ee_gl_doc[i]);
assert(fabs(factor_ee_gl_hpc[i] - factor_ee_gl_doc[i]) < 1.e-12);
assert(fabs(factor_ee_gl_hpc[i] - factor_ee_gl_doc[i]) < 1.e-8);
}
}
#+end_src
@ -5002,7 +5002,7 @@ assert(fabs(en_distance_rescaled[0][0][6] - 0.4726452953409436) < 1.e-12);
assert(rc == QMCKL_SUCCESS);
for (int64_t i=0 ; i<walk_num*nucl_num*elec_num ; ++i) {
assert(fabs(en_distance_rescaled_doc[i] - en_distance_rescaled_hpc[i]) < 1.e-12);
assert(fabs(en_distance_rescaled_doc[i] - en_distance_rescaled_hpc[i]) < 1.e-8);
}
}
#+end_src
@ -5519,7 +5519,7 @@ assert(qmckl_electron_provided(context));
assert(rc == QMCKL_SUCCESS);
for (int i = 0; i < walk_num*nucl_num*elec_num*4; i++) {
assert(fabs(en_distance_rescaled_gl_doc[i] - en_distance_rescaled_gl_hpc[i]) < 1.e-12);
assert(fabs(en_distance_rescaled_gl_doc[i] - en_distance_rescaled_gl_hpc[i]) < 1.e-8);
}
}
#+end_src
@ -5987,7 +5987,7 @@ assert(fabs(22.781375792083587 - factor_en[0]) < 1.e-12);
assert(rc == QMCKL_SUCCESS);
for (int64_t i = 0; i < walk_num; i++) {
assert(fabs(factor_en_doc[i] - factor_en_hpc[i]) < 1.e-12);
assert(fabs(factor_en_doc[i] - factor_en_hpc[i]) < 1.e-10);
}
}
#+end_src
@ -11762,7 +11762,7 @@ TODO
factor_een_gl_hpc);
for (int64_t i = 0; i < walk_num*4*elec_num; ++i) {
assert(fabs(factor_een_gl_doc[i] - factor_een_gl_hpc[i]) < 1e-12);
assert(fabs(factor_een_gl_doc[i] - factor_een_gl_hpc[i]) < 1e-8);
}
}
#+end_src