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ESPUTR
calculation of sputtering yields
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Functions/Subroutines | |
| logical function, public | esputr1993_test_wrong_file () |
| Test for correct error codes if given file does not exist or is corrupted. More... | |
| logical function, public | esputr1993_test_wrong_ids () |
| Test for correct error codes if projectile/target IDs do not exist. More... | |
| logical function, public | esputr1993_test_double_init () |
| Test for correct error codes if 1993 model is initialized or deallocateted more than once. More... | |
| logical function, public | esputr1993_test_call_uninitialized () |
| Test for correct error codes if functions are used w/o initialization of the module. More... | |
| logical function, public | esputr1993_test_unknown_elements () |
| Test for correct error codes if ID of an unknown species is requested. More... | |
| logical function, public | esputr1993_test_wrong_angle () |
| Test for correct error codes if incident angle is out of bounds. More... | |
| logical function, public | esputr1993_test_compare () |
| Test that expected values come out of esputr1993_yn. More... | |
| logical function, public | esputr1993_test_th () |
| Check the angular dependence. More... | |
| logical function, public | esputr1993_test_eth () |
| Check esputr1993_Eth. More... | |
| logical function, public | esputr1993_test_initialized () |
| Check esputr1993_if_initialized. More... | |
Variables | |
| integer | i_ |
| character(*), parameter | sputer1993_fitvalues_file = "../data/SPUTER" |
| Default path to the input file. More... | |
| integer, parameter | n_e0 = 38 |
| Number of tested values of incident energy. More... | |
| integer, parameter | n_combinations = 8 |
| Number of tested projectile-target combinations. More... | |
| real(kind=esputr_dp), dimension(n_e0), parameter | e0 = (/ (i_, i_=0,200,10), (i_, i_=300,900,100), (i_, i_=1000,10000,1000) /) |
| Values of incident energy for which the yields are tested (eV) More... | |
| character(10), dimension(3, n_combinations), parameter | combinations = reshape ( (/ "D ", "Be ", "Beryllium ", "T ", "Be ", "Beryllium ", "D ", "Fe ", "Iron ", "T ", "Fe ", "Iron ", "D ", "Mo ", "Molybdenum", "T ", "Mo ", "Molybdenum", "D ", "W ", "Tungsten ", "T ", "W ", "Tungsten " /), (/ 3, N_COMBINATIONS/) ) |
| List of projectile-target combinations for which the reference values are defined. More... | |
| real(kind=esputr_dp), dimension(n_e0, n_combinations), parameter | expected1993 = reshape ( (/ 0.000000000e+00, 0.000000000e+00, 1.104103489e-03, 5.412871941e-03, 9.865317449e-03, 1.362015231e-02, 1.666145691e-02, 1.911097532e-02, 2.109086932e-02, 2.270029556e-02, 2.401582971e-02, 2.509606869e-02, 2.598604652e-02, 2.672069140e-02, 2.732738324e-02, 2.782781747e-02, 2.823936384e-02, 2.857606414e-02, 2.884937187e-02, 2.906870654e-02, 2.924187358e-02, 2.947274709e-02, 2.854958532e-02, 2.733847992e-02, 2.609905503e-02, 2.491692942e-02, 2.381836251e-02, 2.280755068e-02, 2.188037090e-02, 1.574763130e-02, 1.251330226e-02, 1.048765264e-02, 9.084401421e-03, 8.047182373e-03, 7.245108871e-03, 6.603895290e-03, 6.078020749e-03, 5.637921894e-03, 0.000000000e+00, 0.000000000e+00, 6.163481396e-04, 4.972985113e-03, 1.020839541e-02, 1.488585322e-02, 1.880155249e-02, 2.202962229e-02, 2.468817158e-02, 2.688523383e-02, 2.870915201e-02, 3.022989306e-02, 3.150250386e-02, 3.257042361e-02, 3.346816812e-02, 3.422339168e-02, 3.485844337e-02, 3.539153839e-02, 3.583764297e-02, 3.620914723e-02, 3.651638116e-02, 3.744791982e-02, 3.664606240e-02, 3.533663840e-02, 3.390936958e-02, 3.250448541e-02, 3.117319558e-02, 2.993157952e-02, 2.878118075e-02, 2.097715208e-02, 1.676289492e-02, 1.409672877e-02, 1.223877094e-02, 1.085992900e-02, 9.790536375e-03, 8.933666020e-03, 8.229639207e-03, 7.639555433e-03, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 1.737185437e-04, 1.046539046e-03, 2.422094274e-03, 4.030510991e-03, 5.711258056e-03, 7.379122837e-03, 8.991161166e-03, 1.052732180e-02, 1.197988020e-02, 1.334770838e-02, 1.463313703e-02, 1.584021883e-02, 1.697376134e-02, 1.803879011e-02, 1.904025543e-02, 1.998287882e-02, 2.087107955e-02, 2.750974373e-02, 3.158309658e-02, 3.425578892e-02, 3.608011706e-02, 3.735185130e-02, 3.824445425e-02, 3.886676439e-02, 3.929068098e-02, 3.899753173e-02, 3.659592588e-02, 3.413323981e-02, 3.191246470e-02, 2.996087981e-02, 2.825036739e-02, 2.674482709e-02, 2.541138231e-02, 2.422248563e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 2.748668824e-04, 1.978833967e-03, 4.540618007e-03, 7.352042125e-03, 1.013825575e-02, 1.278839828e-02, 1.526410109e-02, 1.755873052e-02, 1.967924827e-02, 2.163797159e-02, 2.344878690e-02, 2.512542918e-02, 2.668074192e-02, 2.812640767e-02, 2.947290264e-02, 3.072955382e-02, 3.190463841e-02, 3.300549564e-02, 4.106738031e-02, 4.588454289e-02, 4.898419565e-02, 5.105844087e-02, 5.247045440e-02, 5.343087730e-02, 5.407097567e-02, 5.447706650e-02, 5.327729815e-02, 4.976522363e-02, 4.631552934e-02, 4.324915487e-02, 4.057314004e-02, 3.823704097e-02, 3.618611411e-02, 3.437278813e-02, 3.275805393e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 6.113259122e-06, 7.256358164e-05, 2.328358848e-04, 4.843020824e-04, 8.127826662e-04, 1.202061715e-03, 1.637256384e-03, 2.105787324e-03, 2.597431521e-03, 3.104056130e-03, 3.619274123e-03, 4.138114139e-03, 9.004279744e-03, 1.287372049e-02, 1.586171980e-02, 1.819622945e-02, 2.005041866e-02, 2.154526339e-02, 2.276543450e-02, 2.377136679e-02, 2.807671072e-02, 2.860035619e-02, 2.811293568e-02, 2.729748580e-02, 2.638574083e-02, 2.546821410e-02, 2.458203050e-02, 2.374178809e-02, 2.295196529e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 3.483440885e-06, 1.336728845e-04, 5.030419358e-04, 1.081139055e-03, 1.810072022e-03, 2.638605804e-03, 3.527705732e-03, 4.449189325e-03, 5.383205890e-03, 6.315982847e-03, 7.238094468e-03, 8.143200825e-03, 9.027147694e-03, 9.887328317e-03, 1.072223098e-02, 1.769168653e-02, 2.265536772e-02, 2.629792875e-02, 2.905732991e-02, 3.120086984e-02, 3.289801991e-02, 3.426108595e-02, 3.536748555e-02, 3.971780570e-02, 3.979104264e-02, 3.878776201e-02, 3.747362096e-02, 3.610013916e-02, 3.476071376e-02, 3.349023361e-02, 3.229963977e-02, 3.118960080e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 3.821267303e-04, 1.685035389e-03, 3.317431861e-03, 4.955715436e-03, 6.486075150e-03, 7.877297587e-03, 9.129000154e-03, 1.025163704e-02, 1.691922670e-02, 1.966598612e-02, 2.092588409e-02, 2.148623487e-02, 2.167495227e-02, 2.165167616e-02, 2.150239271e-02, 2.127675440e-02, 2.100489733e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 2.818904489e-07, 1.177025344e-05, 5.166389668e-05, 1.273855286e-04, 2.403441647e-04, 3.888649309e-04, 5.698063547e-04, 3.414252549e-03, 6.724809397e-03, 9.761714767e-03, 1.240583179e-02, 1.468313276e-02, 1.664705632e-02, 1.834942033e-02, 1.983412462e-02, 2.803833028e-02, 3.109099865e-02, 3.232680327e-02, 3.273624940e-02, 3.271953512e-02, 3.246788833e-02, 3.208271143e-02, 3.162164526e-02, 3.111906787e-02 /), (/ N_E0, N_COMBINATIONS /) ) |
| Reference values for comparison. More... | |
| logical function, public esputr1993_test::esputr1993_test_wrong_file | ( | ) |
Test for correct error codes if given file does not exist or is corrupted.
Definition at line 146 of file esputr1993_test.f90.
References esputr1993::esputr1993_deallocate(), and esputr1993::esputr1993_init().
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_wrong_ids | ( | ) |
Test for correct error codes if projectile/target IDs do not exist.
Definition at line 157 of file esputr1993_test.f90.
References esputr1993::esputr1993_deallocate(), esputr1993::esputr1993_init(), esputr1993::esputr1993_yn(), and sputer1993_fitvalues_file.
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_double_init | ( | ) |
Test for correct error codes if 1993 model is initialized or deallocateted more than once.
Definition at line 171 of file esputr1993_test.f90.
References esputr1993::esputr1993_deallocate(), esputr1993::esputr1993_init(), and sputer1993_fitvalues_file.
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_call_uninitialized | ( | ) |
Test for correct error codes if functions are used w/o initialization of the module.
Definition at line 183 of file esputr1993_test.f90.
References esputr1993::esputr1993_getprojectileid(), esputr1993::esputr1993_gettargetid(), and esputr1993::esputr1993_yn().
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_unknown_elements | ( | ) |
Test for correct error codes if ID of an unknown species is requested.
Definition at line 195 of file esputr1993_test.f90.
References esputr1993::esputr1993_deallocate(), esputr1993::esputr1993_getprojectileid(), esputr1993::esputr1993_gettargetid(), esputr1993::esputr1993_init(), and sputer1993_fitvalues_file.
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_wrong_angle | ( | ) |
Test for correct error codes if incident angle is out of bounds.
Definition at line 207 of file esputr1993_test.f90.
References esputr1993::esputr1993_deallocate(), esputr1993::esputr1993_init(), esputr1993::esputr1993_yth(), and sputer1993_fitvalues_file.
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_compare | ( | ) |
Test that expected values come out of esputr1993_yn.
Definition at line 220 of file esputr1993_test.f90.
References combinations, e0, esputr1993::esputr1993_deallocate(), esputr1993::esputr1993_getprojectileid(), esputr1993::esputr1993_gettargetid(), esputr1993::esputr1993_init(), esputr1993::esputr1993_yn(), expected1993, esputr_test::ispassed(), n_combinations, n_e0, esputr_test::printfailed(), and sputer1993_fitvalues_file.
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_th | ( | ) |
Check the angular dependence.
Definition at line 278 of file esputr1993_test.f90.
References esputr1993::esputr1993_deallocate(), esputr1993::esputr1993_init(), esputr1993::esputr1993_yth(), esputr::esputr_pi, esputr_test::ispassed(), and sputer1993_fitvalues_file.
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_eth | ( | ) |
Check esputr1993_Eth.
Definition at line 315 of file esputr1993_test.f90.
References esputr1993::esputr1993_deallocate(), esputr1993::esputr1993_eth(), esputr1993::esputr1993_getprojectileid(), esputr1993::esputr1993_gettargetid(), esputr1993::esputr1993_init(), esputr_test::ispassed(), and sputer1993_fitvalues_file.
Referenced by test1993().
| logical function, public esputr1993_test::esputr1993_test_initialized | ( | ) |
Check esputr1993_if_initialized.
Definition at line 340 of file esputr1993_test.f90.
References esputr1993::esputr1993_deallocate(), esputr1993::esputr1993_if_initialized(), esputr1993::esputr1993_init(), and sputer1993_fitvalues_file.
Referenced by test1993().
| integer esputr1993_test::i_ |
Definition at line 44 of file esputr1993_test.f90.
| character(*), parameter esputr1993_test::sputer1993_fitvalues_file = "../data/SPUTER" |
Default path to the input file.
Definition at line 46 of file esputr1993_test.f90.
Referenced by esputr1993_test_compare(), esputr1993_test_double_init(), esputr1993_test_eth(), esputr1993_test_initialized(), esputr1993_test_th(), esputr1993_test_unknown_elements(), esputr1993_test_wrong_angle(), and esputr1993_test_wrong_ids().
| integer, parameter esputr1993_test::n_e0 = 38 |
Number of tested values of incident energy.
Definition at line 48 of file esputr1993_test.f90.
Referenced by esputr1993_test_compare().
| integer, parameter esputr1993_test::n_combinations = 8 |
Number of tested projectile-target combinations.
Definition at line 50 of file esputr1993_test.f90.
Referenced by DEFUN_DLD(), and esputr1993_test_compare().
| real(kind=esputr_dp), dimension(n_e0), parameter esputr1993_test::e0 = (/ (i_, i_=0,200,10), (i_, i_=300,900,100), (i_, i_=1000,10000,1000) /) |
Values of incident energy for which the yields are tested (eV)
Definition at line 52 of file esputr1993_test.f90.
Referenced by esputr1993_test_compare().
| character(10), dimension(3, n_combinations), parameter esputr1993_test::combinations = reshape ( (/ "D ", "Be ", "Beryllium ", "T ", "Be ", "Beryllium ", "D ", "Fe ", "Iron ", "T ", "Fe ", "Iron ", "D ", "Mo ", "Molybdenum", "T ", "Mo ", "Molybdenum", "D ", "W ", "Tungsten ", "T ", "W ", "Tungsten " /), (/ 3, N_COMBINATIONS/) ) |
List of projectile-target combinations for which the reference values are defined.
Definition at line 54 of file esputr1993_test.f90.
Referenced by esputr1993_test_compare().
| real(kind=esputr_dp), dimension(n_e0, n_combinations), parameter esputr1993_test::expected1993 = reshape ( (/ 0.000000000e+00, 0.000000000e+00, 1.104103489e-03, 5.412871941e-03, 9.865317449e-03, 1.362015231e-02, 1.666145691e-02, 1.911097532e-02, 2.109086932e-02, 2.270029556e-02, 2.401582971e-02, 2.509606869e-02, 2.598604652e-02, 2.672069140e-02, 2.732738324e-02, 2.782781747e-02, 2.823936384e-02, 2.857606414e-02, 2.884937187e-02, 2.906870654e-02, 2.924187358e-02, 2.947274709e-02, 2.854958532e-02, 2.733847992e-02, 2.609905503e-02, 2.491692942e-02, 2.381836251e-02, 2.280755068e-02, 2.188037090e-02, 1.574763130e-02, 1.251330226e-02, 1.048765264e-02, 9.084401421e-03, 8.047182373e-03, 7.245108871e-03, 6.603895290e-03, 6.078020749e-03, 5.637921894e-03, 0.000000000e+00, 0.000000000e+00, 6.163481396e-04, 4.972985113e-03, 1.020839541e-02, 1.488585322e-02, 1.880155249e-02, 2.202962229e-02, 2.468817158e-02, 2.688523383e-02, 2.870915201e-02, 3.022989306e-02, 3.150250386e-02, 3.257042361e-02, 3.346816812e-02, 3.422339168e-02, 3.485844337e-02, 3.539153839e-02, 3.583764297e-02, 3.620914723e-02, 3.651638116e-02, 3.744791982e-02, 3.664606240e-02, 3.533663840e-02, 3.390936958e-02, 3.250448541e-02, 3.117319558e-02, 2.993157952e-02, 2.878118075e-02, 2.097715208e-02, 1.676289492e-02, 1.409672877e-02, 1.223877094e-02, 1.085992900e-02, 9.790536375e-03, 8.933666020e-03, 8.229639207e-03, 7.639555433e-03, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 1.737185437e-04, 1.046539046e-03, 2.422094274e-03, 4.030510991e-03, 5.711258056e-03, 7.379122837e-03, 8.991161166e-03, 1.052732180e-02, 1.197988020e-02, 1.334770838e-02, 1.463313703e-02, 1.584021883e-02, 1.697376134e-02, 1.803879011e-02, 1.904025543e-02, 1.998287882e-02, 2.087107955e-02, 2.750974373e-02, 3.158309658e-02, 3.425578892e-02, 3.608011706e-02, 3.735185130e-02, 3.824445425e-02, 3.886676439e-02, 3.929068098e-02, 3.899753173e-02, 3.659592588e-02, 3.413323981e-02, 3.191246470e-02, 2.996087981e-02, 2.825036739e-02, 2.674482709e-02, 2.541138231e-02, 2.422248563e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 2.748668824e-04, 1.978833967e-03, 4.540618007e-03, 7.352042125e-03, 1.013825575e-02, 1.278839828e-02, 1.526410109e-02, 1.755873052e-02, 1.967924827e-02, 2.163797159e-02, 2.344878690e-02, 2.512542918e-02, 2.668074192e-02, 2.812640767e-02, 2.947290264e-02, 3.072955382e-02, 3.190463841e-02, 3.300549564e-02, 4.106738031e-02, 4.588454289e-02, 4.898419565e-02, 5.105844087e-02, 5.247045440e-02, 5.343087730e-02, 5.407097567e-02, 5.447706650e-02, 5.327729815e-02, 4.976522363e-02, 4.631552934e-02, 4.324915487e-02, 4.057314004e-02, 3.823704097e-02, 3.618611411e-02, 3.437278813e-02, 3.275805393e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 6.113259122e-06, 7.256358164e-05, 2.328358848e-04, 4.843020824e-04, 8.127826662e-04, 1.202061715e-03, 1.637256384e-03, 2.105787324e-03, 2.597431521e-03, 3.104056130e-03, 3.619274123e-03, 4.138114139e-03, 9.004279744e-03, 1.287372049e-02, 1.586171980e-02, 1.819622945e-02, 2.005041866e-02, 2.154526339e-02, 2.276543450e-02, 2.377136679e-02, 2.807671072e-02, 2.860035619e-02, 2.811293568e-02, 2.729748580e-02, 2.638574083e-02, 2.546821410e-02, 2.458203050e-02, 2.374178809e-02, 2.295196529e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 3.483440885e-06, 1.336728845e-04, 5.030419358e-04, 1.081139055e-03, 1.810072022e-03, 2.638605804e-03, 3.527705732e-03, 4.449189325e-03, 5.383205890e-03, 6.315982847e-03, 7.238094468e-03, 8.143200825e-03, 9.027147694e-03, 9.887328317e-03, 1.072223098e-02, 1.769168653e-02, 2.265536772e-02, 2.629792875e-02, 2.905732991e-02, 3.120086984e-02, 3.289801991e-02, 3.426108595e-02, 3.536748555e-02, 3.971780570e-02, 3.979104264e-02, 3.878776201e-02, 3.747362096e-02, 3.610013916e-02, 3.476071376e-02, 3.349023361e-02, 3.229963977e-02, 3.118960080e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 3.821267303e-04, 1.685035389e-03, 3.317431861e-03, 4.955715436e-03, 6.486075150e-03, 7.877297587e-03, 9.129000154e-03, 1.025163704e-02, 1.691922670e-02, 1.966598612e-02, 2.092588409e-02, 2.148623487e-02, 2.167495227e-02, 2.165167616e-02, 2.150239271e-02, 2.127675440e-02, 2.100489733e-02, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 0.000000000e+00, 2.818904489e-07, 1.177025344e-05, 5.166389668e-05, 1.273855286e-04, 2.403441647e-04, 3.888649309e-04, 5.698063547e-04, 3.414252549e-03, 6.724809397e-03, 9.761714767e-03, 1.240583179e-02, 1.468313276e-02, 1.664705632e-02, 1.834942033e-02, 1.983412462e-02, 2.803833028e-02, 3.109099865e-02, 3.232680327e-02, 3.273624940e-02, 3.271953512e-02, 3.246788833e-02, 3.208271143e-02, 3.162164526e-02, 3.111906787e-02 /), (/ N_E0, N_COMBINATIONS /) ) |
Reference values for comparison.
Definition at line 67 of file esputr1993_test.f90.
Referenced by esputr1993_test_compare().
1.8.9.1
