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Reinstated tests for een_rescaled_e. #22

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vijay gopal chilkuri 2021-07-08 12:09:22 +05:30
parent c8aef0d9ac
commit bcba93ee7e
1 changed files with 13 additions and 13 deletions
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org/qmckl_jastrow.org
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@ -3142,19 +3142,19 @@ print(" een_rescaled_e[1, 5, 2] = ",een_rescaled_e[1, 5, 2])
: een_rescaled_e[1, 5, 2] = 0.3424402276009091
#+begin_src c :tangle (eval c_test)
//assert(qmckl_electron_provided(context));
//
//
//double een_rescaled_e[walk_num][elec_num][elec_num][(cord_num + 1)];
//rc = qmckl_get_jastrow_een_rescaled_e(context, &(een_rescaled_e[0][0][0][0]));
//
//// value of (0,2,1)
//assert(fabs(een_rescaled_e[0][0][2][1]-0.08084493981483197) < 1.e-12);
//assert(fabs(een_rescaled_e[0][0][3][1]-0.1066745707571846) < 1.e-12);
//assert(fabs(een_rescaled_e[0][0][4][1]-0.01754273169464735) < 1.e-12);
//assert(fabs(een_rescaled_e[0][1][3][2]-0.02214680362033448) < 1.e-12);
//assert(fabs(een_rescaled_e[0][1][4][2]-0.0005700154999202759) < 1.e-12);
//assert(fabs(een_rescaled_e[0][1][5][2]-0.3424402276009091) < 1.e-12);
assert(qmckl_electron_provided(context));
double een_rescaled_e[walk_num][elec_num][elec_num][(cord_num + 1)];
rc = qmckl_get_jastrow_een_rescaled_e(context, &(een_rescaled_e[0][0][0][0]));
// value of (0,2,1)
assert(fabs(een_rescaled_e[0][0][2][1]-0.08084493981483197) < 1.e-12);
assert(fabs(een_rescaled_e[0][0][3][1]-0.1066745707571846) < 1.e-12);
assert(fabs(een_rescaled_e[0][0][4][1]-0.01754273169464735) < 1.e-12);
assert(fabs(een_rescaled_e[0][1][3][2]-0.02214680362033448) < 1.e-12);
assert(fabs(een_rescaled_e[0][1][4][2]-0.0005700154999202759) < 1.e-12);
assert(fabs(een_rescaled_e[0][1][5][2]-0.3424402276009091) < 1.e-12);
#+end_src