Commit ed23a3c5 authored by Your Name's avatar Your Name

update sis_cscl.bkr for according to sis.py change

parent 0c2b4e0d
......@@ -590,7 +590,6 @@
"evaluator": "IPython",
"input": {
"body": [
"from nomad_sim.sis import estimate_calculation_expense",
"import random",
"import string",
"import os",
......@@ -666,8 +665,6 @@
"sis_control = {'local_paths':Local_paths, 'remote_run':Remote_run, 'parameters':Parameters}",
"",
"",
"",
"estimate_calculation_expense(sis_control,feature_list)",
"if int(beaker.n_comb)==3:",
" sis_control['remote_run']['mpi_command'] = 'mpirun -np 5'",
"",
......@@ -684,7 +681,7 @@
"elapsedTime": 1617
},
"evaluatorReader": true,
"lineCount": 83,
"lineCount": 80,
"tags": "calc_cell"
},
{
......@@ -1140,8 +1137,6 @@
"evaluator": "IPython",
"input": {
"body": [
"",
"",
"from nomad_sim.wrappers import get_json_list, calc_descriptor ",
"from nomad_sim.wrappers import calc_model, calc_embedding, plot",
"from nomad_sim.utils_crystals import create_supercell",
......@@ -1150,7 +1145,6 @@
"from nomad_sim.utils_crystals import substitute_atoms",
"from nomad_sim.descriptors import XrayDiffraction",
"from nomad_sim.utils_crystals import create_supercell",
"from nomad_sim.sis import estimate_calculation_expense",
"",
"# hack to change to local/Beaker mode in all files in the packages",
"# DEPRECATED",
......@@ -1241,7 +1235,7 @@
"height": 1206
},
"evaluatorReader": true,
"lineCount": 89,
"lineCount": 86,
"tags": "calc_cell"
},
{
......
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