diff --git a/beaker-notebooks/sis_cscl.bkr b/beaker-notebooks/sis_cscl.bkr index 684854030ac0b6449381d28a627c12dc2890305d..ed785e9e5453fc70b0460681e042d08e6af5a647 100644 --- a/beaker-notebooks/sis_cscl.bkr +++ b/beaker-notebooks/sis_cscl.bkr @@ -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" }, {