diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index 27aab31..05c66ba 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -1380,15 +1380,10 @@ print("asymp_jasb[1] : ", asymp_jasb[1]) #+end_src #+RESULTS: asymp_jasb - : asym_one : 0.6634291325000664 - : asymp_jasb[0] : 1.043287918508297 - : asymp_jasb[1] : 0.7115733522582638 - - #+RESULTS: : asym_one : 0.43340325572525706 : asymp_jasb[0] : 0.5323750557252571 : asymp_jasb[1] : 0.31567342786262853 - + #+begin_src c :tangle (eval c_test) assert(qmckl_electron_provided(context)); @@ -2114,28 +2109,16 @@ print("factor_ee_deriv_e[0][0]:",factor_ee_deriv_e[0][0]) print("factor_ee_deriv_e[1][0]:",factor_ee_deriv_e[1][0]) print("factor_ee_deriv_e[2][0]:",factor_ee_deriv_e[2][0]) print("factor_ee_deriv_e[3][0]:",factor_ee_deriv_e[3][0]) -print(factor_ee_deriv_e) - #+end_src #+RESULTS: - #+begin_example - asym_one : 0.43340325572525706 - asymp_jasb[0] : 0.5323750557252571 - asymp_jasb[1] : 0.31567342786262853 - factor_ee_deriv_e[0][0]: 0.16364894652107934 - factor_ee_deriv_e[1][0]: -0.6927548119830084 - factor_ee_deriv_e[2][0]: 0.073267755223968 - factor_ee_deriv_e[3][0]: 1.5111672803213185 - [[ 0.16364895 0.60354957 -0.19825547 0.02359797 -0.13123153 -0.18789233 - 0.07762515 -0.42459184 0.27920265 -0.2056531 ] - [-0.69275481 0.15690393 0.09831069 0.18490587 0.04361723 0.3250686 - 0.12657961 -0.01736522 -0.40149005 0.17622416] - [ 0.07326776 -0.27532276 0.22396943 0.18771633 -0.34506246 0.07298062 - 0.63302352 -0.00910198 -0.30238713 -0.25908332] - [ 1.51116728 1.5033247 0.00325003 2.89377255 0.1338393 2.15893795 - 1.74732003 0.23561147 2.67455607 0.82810434]] - #+end_example + : asym_one : 0.43340325572525706 + : asymp_jasb[0] : 0.5323750557252571 + : asymp_jasb[1] : 0.31567342786262853 + : factor_ee_deriv_e[0][0]: 0.16364894652107934 + : factor_ee_deriv_e[1][0]: -0.6927548119830084 + : factor_ee_deriv_e[2][0]: 0.073267755223968 + : factor_ee_deriv_e[3][0]: 1.5111672803213185 #+begin_src c :tangle (eval c_test) @@ -2429,7 +2412,7 @@ for a in range(0,nucl_num): print("factor_en :",factor_en) #+end_src - + #+RESULTS: : factor_en : -5.865822569188727 @@ -3135,7 +3118,7 @@ print(" een_rescaled_e[1, 5, 2] = ",een_rescaled_e[1, 5, 2]) #+RESULTS: : een_rescaled_e[0, 2, 1] = 0.08084493981483197 : een_rescaled_e[0, 3, 1] = 0.1066745707571846 - : een_rescaled_e[0, 4, 1] = 0.01754273169464735 + : een_rescaled_e[0, 4, 1] = 0.017542731694647366 : een_rescaled_e[1, 3, 2] = 0.02214680362033448 : een_rescaled_e[1, 4, 2] = 0.0005700154999202759 : een_rescaled_e[1, 5, 2] = 0.3424402276009091 @@ -3469,7 +3452,7 @@ print(" een_rescaled_e[1, 5, 2] = ",een_rescaled_e[1, 5, 2]) #+RESULTS: : een_rescaled_e[0, 2, 1] = 0.08084493981483197 : een_rescaled_e[0, 3, 1] = 0.1066745707571846 - : een_rescaled_e[0, 4, 1] = 0.01754273169464735 + : een_rescaled_e[0, 4, 1] = 0.017542731694647366 : een_rescaled_e[1, 3, 2] = 0.02214680362033448 : een_rescaled_e[1, 4, 2] = 0.0005700154999202759 : een_rescaled_e[1, 5, 2] = 0.3424402276009091