From 8f5722a98e67ef641d0390221569822b83b432e7 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Malte=20Sch=C3=BCler?= <malte@dwarsloeper.org>
Date: Tue, 2 Jul 2019 11:10:08 +0200
Subject: [PATCH] changed vasp_converter test such that hdf5 files include
 proj_or_hk flag

---
 python/converters/vasp_converter.py     |   6 +++---
 test/plovasp/converter/lunio3.out.h5    | Bin 330144 -> 336304 bytes
 test/plovasp/converter/pg_output.out.h5 | Bin 215352 -> 221512 bytes
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/python/converters/vasp_converter.py b/python/converters/vasp_converter.py
index a3d0f5c0..e2c4d61d 100644
--- a/python/converters/vasp_converter.py
+++ b/python/converters/vasp_converter.py
@@ -335,6 +335,8 @@ class VaspConverter(ConverterTools):
 
         rf.close()
 
+
+        proj_or_hk = self.proj_or_hk
         
         # Save it to the HDF:
         with HDFArchive(self.hdf_file,'a') as ar:
@@ -343,11 +345,9 @@ class VaspConverter(ConverterTools):
             things_to_save = ['energy_unit','n_k','k_dep_projection','SP','SO','charge_below','density_required',
                           'symm_op','n_shells','shells','n_corr_shells','corr_shells','use_rotations','rot_mat',
                           'rot_mat_time_inv','n_reps','dim_reps','T','n_orbitals','proj_mat','bz_weights','hopping',
-                          'n_inequiv_shells', 'corr_to_inequiv', 'inequiv_to_corr']
+                          'n_inequiv_shells', 'corr_to_inequiv', 'inequiv_to_corr','proj_or_hk']
             if self.proj_or_hk == 'hk':
-                proj_or_hk = self.proj_or_hk
                 things_to_save.append('proj_mat_csc')
-                things_to_save.append('proj_or_hk')
             for it in things_to_save: ar[self.dft_subgrp][it] = locals()[it]
 
             # Store Fermi weights to 'dft_misc_input'
diff --git a/test/plovasp/converter/lunio3.out.h5 b/test/plovasp/converter/lunio3.out.h5
index 52e72dc29066f3c92b12261d3264b11b9111c9c2..23b56f90604bc48a67a2849b62bd8c317df878c5 100644
GIT binary patch
delta 284
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z`M})^D|iZu^0VUei{dk~85kzZn5nfNYGVXqCLm_seyEM*Ueja)ZzV?w21cL>l0ZTL
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BJ=6dI

delta 63
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SP#Yr<GXXL4_Cswf_nH8d#vWDx

diff --git a/test/plovasp/converter/pg_output.out.h5 b/test/plovasp/converter/pg_output.out.h5
index 55af2cc489bab8810d1d1353eb1b3ef7d093ff50..bb0da56fd93ad43d15fb53e8fe130c462f643a13 100644
GIT binary patch
delta 293
zcmdlniTA`I-U%8^9*G;Z{8$-JY_4R@O=e`D{5(UGdj}%}7+82RPkbmlSs?Sn<PR!B
z%~o0MR#}YOt+JT%S|kgK^0VUei{dk~A!?yo7=BEA_<s9__e>p;Ks`#15)2>-NgyEr
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zFi-q&&WQ!6!~?1jWURZhzYo}WkUc;Ev5J8Kqz(i?ZicWR<PCmg6Cvgz$a*FKS~fYQ

delta 69
zcmX?ch<C>%-U%8^7M>fm{8$-xY_4R@O=e`9{5(T*vPI^H$pZdX%~o0MR#}YOt+JT%
WTDTY)Ab^8$;=_O2H@s)+hy(yvFc;GR