From bcba93ee7e75ca9f54535cfd176caba7801190c2 Mon Sep 17 00:00:00 2001 From: vijay gopal chilkuri Date: Thu, 8 Jul 2021 12:09:22 +0530 Subject: [PATCH] Reinstated tests for een_rescaled_e. #22 --- org/qmckl_jastrow.org | 26 +++++++++++++------------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index 427e6cd..2137935 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -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