diff --git a/ARISE.ipynb b/ARISE.ipynb index 01a12d524df9f2180ddc26d61aeee5a7a29472d1..ae04125366b7b701839de914c9e69e927e232482 100644 --- a/ARISE.ipynb +++ b/ARISE.ipynb @@ -140,7 +140,7 @@ "\n", "version = 'py3' # or 'py2' -> defines python version of quippy\n", "\n", - "\n", + "nb_jobs = 1\n", "\n", "# set config file\n", "main_folder = calculations_path\n", @@ -951,7 +951,7 @@ "previous_level = logger.getEffectiveLevel()\n", "logger.setLevel(0) # switch off logging, you may change this.\n", "predictions, uncertainty = ARISE.analyze(geometry_files, mode='local',\n", - " stride=stride, box_size=box_size, configs=configs)\n", + " stride=stride, box_size=box_size, configs=configs, nb_jobs=nb_jobs)\n", "logger.setLevel(previous_level)" ] }, @@ -1348,14 +1348,14 @@ "language_info": { "codemirror_mode": { "name": "ipython", - "version": 2 + "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", - "pygments_lexer": "ipython2", - "version": "2.7.12" + "pygments_lexer": "ipython3", + "version": "3.7.3" } }, "nbformat": 4,