Commit 51bd3f2c authored by Emre Ahmetcik's avatar Emre Ahmetcik

changed paths from .../test/... to /data/...

parent 44b9d4d6
...@@ -375,7 +375,7 @@ ...@@ -375,7 +375,7 @@
"", "",
"", "",
" data = ForceConfs()", " data = ForceConfs()",
" data.read_json_data(filename='/home/beaker/test/data-mlforce/Si_300K.json')", " data.read_json_data(filename='/data/shared/tutorials/data-mlforce/Si_300K.json')",
"", "",
" fig = go.Figure(", " fig = go.Figure(",
" data=[", " data=[",
...@@ -456,7 +456,7 @@ ...@@ -456,7 +456,7 @@
"def error_vs_training(temp, train_size, test_size, gp_sigma):", "def error_vs_training(temp, train_size, test_size, gp_sigma):",
" ", " ",
" data = ForceConfs()", " data = ForceConfs()",
" data.read_json_data(filename='/home/beaker/test/data-mlforce/Si_{}K.json'.format(temp))", " data.read_json_data(filename='/data/shared/tutorials/data-mlforce/Si_{}K.json'.format(temp))",
"", "",
" nsample = 4", " nsample = 4",
" pred_error = []", " pred_error = []",
...@@ -664,7 +664,7 @@ ...@@ -664,7 +664,7 @@
"def estimate_potential(train_size,temperature, gp_kernel, gp_sigma):", "def estimate_potential(train_size,temperature, gp_kernel, gp_sigma):",
" ", " ",
" data = ForceConfs()", " data = ForceConfs()",
" data.read_json_data(filename='/home/beaker/test/data-mlforce/Si_{}K.json'.format(temperature))", " data.read_json_data(filename='/data/shared/tutorials/data-mlforce/Si_{}K.json'.format(temperature))",
"", "",
" train_confs, train_force, test_confs, test_force = data.subsampling(train_size, 0, random=True)", " train_confs, train_force, test_confs, test_force = data.subsampling(train_size, 0, random=True)",
"", "",
...@@ -769,8 +769,8 @@ ...@@ -769,8 +769,8 @@
" },", " },",
" },", " },",
" paths = {", " paths = {",
" \"collections\": \"~/test/periodic-table/data\",", " \"collections\": \"/data/shared/tutorials/periodic-table/data\",",
" \"periodic_table\": \"~/test/periodic-table\"", " \"periodic_table\": \"/data/shared/tutorials/periodic-table\"",
" };", " };",
"", "",
" /**", " /**",
......
...@@ -728,7 +728,7 @@ ...@@ -728,7 +728,7 @@
" legend_title = 'Energy'", " legend_title = 'Energy'",
"elif options['run']['config_folder'] == 'gdb':", "elif options['run']['config_folder'] == 'gdb':",
" data_folder = None", " data_folder = None",
" json_list = ['/home/beaker/test/nomad_sim/gdb13_7k/dsgdb7njp_ase_attributes.xyz']", " json_list = ['/data/shared/tutorials/nomad_sim/gdb13_7k/dsgdb7njp_ase_attributes.xyz']",
" data_file_format = 'xyz'", " data_file_format = 'xyz'",
" frame_list = [ i for i in range(options['run']['n_blocksize']) ]", " frame_list = [ i for i in range(options['run']['n_blocksize']) ]",
" frame_list_idcs = [ (0,i) for i in frame_list ]", " frame_list_idcs = [ (0,i) for i in frame_list ]",
......
...@@ -154,7 +154,7 @@ ...@@ -154,7 +154,7 @@
". <br>", ". <br>",
"You can download the code <a href=\"https://github.com/rouyang2017/SISSO\">here</a> .", "You can download the code <a href=\"https://github.com/rouyang2017/SISSO\">here</a> .",
"</div>", "</div>",
" Click first <b>Reference settings</b> and afterwards <b>RUN</b> to reproduce the results of the following paper:", " Click <b>RUN</b> to reproduce the results of the following paper:",
"<div style=\"padding: 1ex; margin-top: 1ex; margin-bottom: 1ex; border-style: dotted; border-width: 1pt; border-color: blue; border-radius: 3px;\">", "<div style=\"padding: 1ex; margin-top: 1ex; margin-bottom: 1ex; border-style: dotted; border-width: 1pt; border-color: blue; border-radius: 3px;\">",
"C. M. Acosta, R. Ouyang, A. Fazzio, M. Scheffler, L. M. Ghiringhelli, C. Carbogno <span style=\"font-style: italic;\">Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing, </span> <a href=\"https://arxiv.org/abs/1710.03319\">https://arxiv.org/abs/1805.10950</a> (2018).", "C. M. Acosta, R. Ouyang, A. Fazzio, M. Scheffler, L. M. Ghiringhelli, C. Carbogno <span style=\"font-style: italic;\">Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing, </span> <a href=\"https://arxiv.org/abs/1710.03319\">https://arxiv.org/abs/1805.10950</a> (2018).",
"</div>", "</div>",
......
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