From cf6abfe712ff2d0052947f46bdb27131ac6fbaf8 Mon Sep 17 00:00:00 2001 From: Markus Scheidgen <markus.scheidgen@gmail.com> Date: Thu, 29 Oct 2020 17:24:54 +0100 Subject: [PATCH] Added missing metainfo definitions. --- wien2kparser/metainfo/wien2k.py | 24 ++++++++++++++++++++++++ 1 file changed, 24 insertions(+) diff --git a/wien2kparser/metainfo/wien2k.py b/wien2kparser/metainfo/wien2k.py index e7752ae..9f3cd2f 100644 --- a/wien2kparser/metainfo/wien2k.py +++ b/wien2kparser/metainfo/wien2k.py @@ -761,5 +761,29 @@ class section_method(public.section_method): repeats=True, a_legacy=LegacyDefinition(name='x_wien2k_section_XC')) + x_wien2k_in2c_switch = Quantity( + type=str, + a_legacy=LegacyDefinition(name='x_wien2k_in2c_switch')) + + x_wien2k_in2c_emin = Quantity( + type=np.dtype(np.float64), + a_legacy=LegacyDefinition(name='x_wien2k_in2c_emin')) + + x_wien2k_in2c_ne = Quantity( + type=np.dtype(np.float64), + a_legacy=LegacyDefinition(name='x_wien2k_in2c_ne')) + + x_wien2k_in2c_espermin = Quantity( + type=np.dtype(np.float64), + a_legacy=LegacyDefinition(name='x_wien2k_in2c_espermin')) + + x_wien2k_in2c_esper0 = Quantity( + type=np.dtype(np.float64), + a_legacy=LegacyDefinition(name='x_wien2k_in2c_esper0')) + + x_wien2k_in2c_gmax = Quantity( + type=np.dtype(np.float64), + a_legacy=LegacyDefinition(name='x_wien2k_in2c_gmax')) + m_package.__init_metainfo__() -- GitLab