Commit fee057e8 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen

attempt to fix paths

parent 76af4733
......@@ -6,6 +6,9 @@ import krr as kr
import datetime as dt
#import orcaparse as op
# ------------------------Dictionary ML-----------------------------------------
writable_dir = '/home/beaker/myprivate'
krr_l1_param = \
{
# structural sigma used with laplace and gaussian kernels
......@@ -32,7 +35,7 @@ krr_l1_param = \
'data_path': "../data",
# to get some output, and where to put it
'debug': True,
'debug_filepath': "./ml_out_put/output_" +
'debug_filepath': writable_dir + "/ml_out_put/output_" +
dt.datetime.now().time().strftime("%I_%M_%S") +
".out"
}
......@@ -64,7 +67,7 @@ krr_l2_param = \
'data_path': "../data",
# to get some output, and where to put it
'debug': True,
'debug_filepath': "./ml_out_put/output_" +
'debug_filepath': writable_dir + "/ml_out_put/output_" +
dt.datetime.now().time().strftime("%I_%M_%S") +
".out"
}
......@@ -715,11 +718,11 @@ def beaker_test_run(db_type, nsys, ntsys,
energies=energie,
path_data=ml_param['data_path'])
desc[struc_key] = sys
# for the next method
ml_param['delta'] = True
# saving thing before destroy everything
# for the next method
ml_param['delta'] = True
# saving thing before destroy everything
desc['pbe0'] = np.array(pbe0_desc[ref_key])
desc['lda'] = np.array(desc[ref_key])
desc['lda'] = np.array(desc[ref_key])
desc[ref_key] = (np.array(pbe0_desc[ref_key]) -
np.array(desc[ref_key]))
if electr_desc_method == 'pbe0':
......@@ -773,7 +776,10 @@ def beaker_entry(param):
ml_param['data_path'] = "./data"
ml_param['debug'] = True
ml_param['debug_filepath'] = "./ml_out_put/output_" + \
dirname = writable_dir + '/ml_out_put'
if not os.isdir(dirname):
os.mkdir(dirname)
ml_param['debug_filepath'] = dirname + "/output_" + \
dt.datetime.now().time().strftime("%I_%M_%S") \
+ ".out"
......
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