update public distribution

based on internal repository c9a2ac8 2019-01-03 16:04:57 +0100
tagged rev-master-2.0.0

projects/demo/fcc.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python
+#!/usr/bin/env python2
 
 """
 @package pmsco.projects.fcc
@@ -13,24 +13,19 @@ Licensed under the Apache License, Version 2.0 (the "License"); @n
   http://www.apache.org/licenses/LICENSE-2.0
 """
 
+from __future__ import absolute_import
 from __future__ import division
-import sys
-import os
+from __future__ import print_function
+
 import math
 import numpy as np
+import os.path
 import periodictable as pt
 import argparse
 import logging
 
-base_dir = os.path.dirname(__file__) or '.'
-package_dir = os.path.join(base_dir, '../..')
-package_dir = os.path.abspath(package_dir)
-sys.path.append(package_dir)
-
-import pmsco.pmsco
 import pmsco.cluster as mc
 import pmsco.project as mp
-import pmsco.data as md
 from pmsco.helpers import BraceMessage as BMsg
 
 logger = logging.getLogger(__name__)
@@ -82,7 +77,7 @@ class FCC111Project(mp.Project):
         clu.add_layer(self.element, a_l1, a1, a2)
         clu.add_layer(self.element, a_l2, a1, a2)
         clu.add_layer(self.element, a_l3, a1, a2)
-        clu.add_bulk(self.element, a_bulk, a1, a2, a3)
+        clu.add_bulk(self.element, a_bulk, a1, a2, a3, a_bulk[2] + 0.01)
 
         clu.set_emitter(a_l1)
 
@@ -110,7 +105,7 @@ class FCC111Project(mp.Project):
         params.scattering_level = 5
         params.fcut = 15.0
         params.cut = 15.0
-        params.angular_broadening = 0.0
+        params.angular_resolution = 0.0
         params.lattice_constant = 1.0
         params.z_surface = model['Zsurf']
         params.atom_types = 3
@@ -265,20 +260,3 @@ def parse_project_args(_args):
 
     parsed_args = parser.parse_known_args(_args)
     return parsed_args
-
-
-def main():
-    args, unknown_args = pmsco.pmsco.parse_cli()
-    if unknown_args:
-        project_args = parse_project_args(unknown_args)
-    else:
-        project_args = None
-
-    project = create_project(project_args.element)
-    pmsco.pmsco.set_common_args(project, args)
-    set_project_args(project, project_args)
-    pmsco.pmsco.run_project(project)
-
-if __name__ == '__main__':
-    main()
-    sys.exit(0)