From d91fdc2e805e6e817e6ccc13129208118978d7a7 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Wed, 21 Aug 2019 11:26:28 +0300 Subject: [PATCH] More scalar Ewald tests (some pass!) Former-commit-id: 85c3f542c317a7f7bb94bf8833a840d5cf82288d --- tests/CMakeLists.txt | 24 ++++++++++++++++++++++-- 1 file changed, 22 insertions(+), 2 deletions(-) diff --git a/tests/CMakeLists.txt b/tests/CMakeLists.txt index e42300b..6e6797b 100644 --- a/tests/CMakeLists.txt +++ b/tests/CMakeLists.txt @@ -19,12 +19,32 @@ add_custom_target( mytests DEPENDS test_single_translations_vs_calc test_vswf_tr add_test( NAME single_vs_array_translation_coeffs COMMAND test_single_translations_vs_calc ) -add_test( NAME scalar_ewald32_realk1 COMMAND test_scalar_ewald32 +add_test( NAME scalar_ewald32_square_realk1 COMMAND test_scalar_ewald32 # lMax b1.x b1.y b2.x b2.y wavenum.real wavenum.imag k.x k.y particle_shift.x particle_shift.y csphase rtol atol maxR maxK eta1 ... 3 1 0 0 1 2.3 0 2.7 1 0.5 0.1325 -1 1e-8 1e-10 20 160 1.5 1.6 2.5 2.6 ) -add_test( NAME scalar_ewald32_cplxk1 COMMAND test_scalar_ewald32 +add_test( NAME scalar_ewald32_square_realk2 COMMAND test_scalar_ewald32 +# lMax b1.x b1.y b2.x b2.y wavenum.real wavenum.imag k.x k.y particle_shift.x particle_shift.y csphase rtol atol maxR maxK eta1 ... + 3 1 0 0 1 2.3 0 2.7 1 0.0 0.0 -1 1e-8 1e-10 20 160 1.5 1.6 2.5 2.6 + ) + +add_test( NAME scalar_ewald32_square_cplxk_positive_Im1 COMMAND test_scalar_ewald32 # lMax b1.x b1.y b2.x b2.y wavenum.real wavenum.imag k.x k.y particle_shift.x particle_shift.y csphase rtol atol maxR maxK eta1 ... 3 1 0 0 1 2.3 0.1 2.7 1 0.5 0.1325 -1 1e-8 1e-10 20 160 1.5 1.6 2.5 2.6 ) + +add_test( NAME scalar_ewald32_square_cplxk_negative_Im1 COMMAND test_scalar_ewald32 +# lMax b1.x b1.y b2.x b2.y wavenum.real wavenum.imag k.x k.y particle_shift.x particle_shift.y csphase rtol atol maxR maxK eta1 ... + 3 1 0 0 1 2.3 -0.1 2.7 1 0.5 0.1325 -1 1e-8 1e-10 20 160 1.5 1.6 2.5 2.6 + ) + +add_test( NAME scalar_ewald32_square_cplxk_positive_Im2 COMMAND test_scalar_ewald32 +# lMax b1.x b1.y b2.x b2.y wavenum.real wavenum.imag k.x k.y particle_shift.x particle_shift.y csphase rtol atol maxR maxK eta1 ... + 3 1 0 0 1 2.3 0.1 2.7 1 0.0 0.0 -1 1e-8 1e-10 20 160 1.5 1.6 2.5 2.6 + ) + +add_test( NAME scalar_ewald32_square_cplxk_negative_Im2 COMMAND test_scalar_ewald32 +# lMax b1.x b1.y b2.x b2.y wavenum.real wavenum.imag k.x k.y particle_shift.x particle_shift.y csphase rtol atol maxR maxK eta1 ... + 3 1 0 0 1 2.3 -0.1 2.7 1 0.0 0.0 -1 1e-8 1e-10 20 160 1.5 1.6 2.5 2.6 + )