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More scalar Ewald tests (some pass!) 

Former-commit-id: 85c3f542c317a7f7bb94bf8833a840d5cf82288d
This commit is contained in:
Marek Nečada 2019-08-21 11:26:28 +03:00
parent ad3d2d8071
commit d91fdc2e80
1 changed files with 22 additions and 2 deletions
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24
tests/CMakeLists.txt
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@ -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
)