From a304e0ed3637ca8c9556f8c84c740f369f23803f Mon Sep 17 00:00:00 2001 From: Oleg Peil Date: Fri, 4 May 2018 17:18:31 +0200 Subject: [PATCH] Fixed bugs in converter tests --- test/plovasp/converter/lunio3.out.h5 | Bin 297304 -> 330144 bytes .../converter/test_converter_lunio3.py | 2 +- .../converter/test_converter_one_site.py | 2 +- 3 files changed, 2 insertions(+), 2 deletions(-) diff --git a/test/plovasp/converter/lunio3.out.h5 b/test/plovasp/converter/lunio3.out.h5 index 1208c9873e1c5c2d9b4a633e2c7c583fd6c0a64e..52e72dc29066f3c92b12261d3264b11b9111c9c2 100644 GIT binary patch delta 13917 zcmc(Gc{tSX_qUlLGn6Q5sL&>DQX-`sl}g$yDG_N=DAJ;|Fr*D->0OPqS&}t-5pu{j z_MNeXv`8uKwCH)y4DtCq-|zK%{&=qEnd{;{=YF62zRx-L>t1H&HQXy>f(U6pWm*tJ zBw_Yc8by@YM4N1GKo#P@xN?FrNKgowdJ6L;`hd=SA`lb@^tKLxpf}Lov00!y4(Od7 z!U;{cDTIzZop2PPQ~Zb%A~P7N(SlyBh+q{(YOQcmu}A|&bo+^SWP166-(C?m*5GK4%smHd=|s*ov_u#;308w3<*Y(l#P<@!&GG4WGsGIjfjB>6EC z6tW~F?sO9qr1@3a()_BVjWXl@0fU}tQwX{7X8%TpB2$rY3!oEvOi3ajz<`Kgp5=9{ 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a/test/plovasp/converter/test_converter_lunio3.py +++ b/test/plovasp/converter/test_converter_lunio3.py @@ -29,7 +29,7 @@ class TestConverterLuNiO3(mytest.MyTestCase): generate_and_output_as_text(_rpath + 'lunio3.cfg', _rpath + 'lunio3/') test_file = _rpath + 'lunio3.test.h5' - converter = VaspConverter(filename=_rpath + 'vasp', + converter = VaspConverter(filename=_rpath + 'lunio3', hdf_filename=test_file) converter.convert_dft_input() diff --git a/test/plovasp/converter/test_converter_one_site.py b/test/plovasp/converter/test_converter_one_site.py index 378cb57f..3b5cfc32 100644 --- a/test/plovasp/converter/test_converter_one_site.py +++ b/test/plovasp/converter/test_converter_one_site.py @@ -29,7 +29,7 @@ class TestConverterOneSite(mytest.MyTestCase): generate_and_output_as_text(_rpath + 'example.cfg', _rpath + 'one_site/') test_file = _rpath + 'pg_output.test.h5' - converter = VaspConverter(filename=_rpath + 'vasp', + converter = VaspConverter(filename=_rpath + 'one_site', hdf_filename=test_file) converter.convert_dft_input()