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Reinstated tests for een_rescaled_n. #22

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vijay gopal chilkuri 2021-07-08 12:11:26 +05:30
parent bcba93ee7e
commit 45bc54d0f9
1 changed files with 12 additions and 12 deletions
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org/qmckl_jastrow.org
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@ -3767,18 +3767,18 @@ print(" een_rescaled_n[1, 5, 2] = ",een_rescaled_n[1, 5, 2])
: een_rescaled_n[1, 5, 2] = 0.01343938025140174
#+begin_src c :tangle (eval c_test)
//assert(qmckl_electron_provided(context));
//
//double een_rescaled_n[walk_num][elec_num][nucl_num][(cord_num + 1)];
//rc = qmckl_get_jastrow_een_rescaled_n(context, &(een_rescaled_n[0][0][0][0]));
//
//// value of (0,2,1)
//assert(fabs(een_rescaled_n[0][2][0][1]-0.10612983920006765) < 1.e-12);
//assert(fabs(een_rescaled_n[0][3][0][1]-0.135652809635553) < 1.e-12);
//assert(fabs(een_rescaled_n[0][4][0][1]-0.023391817607642338) < 1.e-12);
//assert(fabs(een_rescaled_n[0][3][1][2]-0.880957224822116) < 1.e-12);
//assert(fabs(een_rescaled_n[0][4][1][2]-0.027185942659395074) < 1.e-12);
//assert(fabs(een_rescaled_n[0][5][1][2]-0.01343938025140174) < 1.e-12);
assert(qmckl_electron_provided(context));
double een_rescaled_n[walk_num][elec_num][nucl_num][(cord_num + 1)];
rc = qmckl_get_jastrow_een_rescaled_n(context, &(een_rescaled_n[0][0][0][0]));
// value of (0,2,1)
assert(fabs(een_rescaled_n[0][2][0][1]-0.10612983920006765) < 1.e-12);
assert(fabs(een_rescaled_n[0][3][0][1]-0.135652809635553) < 1.e-12);
assert(fabs(een_rescaled_n[0][4][0][1]-0.023391817607642338) < 1.e-12);
assert(fabs(een_rescaled_n[0][3][1][2]-0.880957224822116) < 1.e-12);
assert(fabs(een_rescaled_n[0][4][1][2]-0.027185942659395074) < 1.e-12);
assert(fabs(een_rescaled_n[0][5][1][2]-0.01343938025140174) < 1.e-12);
#+end_src