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Fixed .log file. #123

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Jul 31, 2019
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2 changes: 1 addition & 1 deletion catmap/model.py
Original file line number Diff line number Diff line change
Expand Up @@ -1150,7 +1150,7 @@ def _header(self,exclude_outputs=[],re_parse=False):
exec(self._log_imports) #needed for testing evaluation of log file
#load in pickled data at the beginning
header += 'binary_data = ' + 'pickle.load(open("' + \
self.data_file +'"))\n\n'
self.data_file +'","rb"))\n\n'
header += 'locals().update(binary_data)\n\n'
for attr in dir(self):
if (not attr.startswith('_') and
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2 changes: 1 addition & 1 deletion tutorials/3-refining_microkinetic_model/CO_oxidation.mkm
Original file line number Diff line number Diff line change
Expand Up @@ -28,7 +28,7 @@ descriptor_names= ['O_s','CO_s'] #descriptor names

descriptor_ranges = [[-1,3],[-0.5,4]]

resolution = 29
resolution = 34

temperature = 500 #Temperature of the reaction

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2 changes: 1 addition & 1 deletion tutorials/electrochemistry/HER/HER.mkm
Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@ descriptor_names = ['H_s','OH_s']

descriptor_ranges = [[-1,1],[-2,3]]

resolution = [15, 15]
resolution = [17, 17]

temperature = 300

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Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@ descriptor_names= ['O_s','CO_s'] #descriptor names

descriptor_ranges = [[-1,3],[-0.5,4]]

resolution = 15
resolution = 24

temperature = 500 #Temperature of the reaction

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6 changes: 5 additions & 1 deletion tutorials/second_order_interactions/mkm_job.py
Original file line number Diff line number Diff line change
@@ -1,7 +1,11 @@
from catmap import ReactionModel
from catmap import analyze
import numpy as np
import cPickle as pickle

try:
import cPickle as pickle
except:
import _pickle as pickle # Python 3.x


include_overbinding = False
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