From 45bc54d0f9df07c0a86172d483a638fb90360bd2 Mon Sep 17 00:00:00 2001 From: vijay gopal chilkuri Date: Thu, 8 Jul 2021 12:11:26 +0530 Subject: [PATCH] Reinstated tests for een_rescaled_n. #22 --- org/qmckl_jastrow.org | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index 2137935..822789f 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -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