FF2 name for E0LL2Y correction
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Mon, 22 Jan 2018 17:04:06 +0000 (18:04 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Mon, 22 Jan 2018 17:04:06 +0000 (18:04 +0100)
django_simple/todo/models.py
django_simple/todo/views.py

index f5036ad..2103d7f 100644 (file)
@@ -9,7 +9,7 @@ import json
 MIN_CHOICE = (('minimize cart','minimize'),('minimize regular','regularize'),('minimize softreg','soft regularize'),('minimize','minimize internal coordinates'))
 MD_START= (('extconf','extended chain'),('pdbstart','start from pdb'),('rand_conf','random chain'))
 MD_LANG = (('langevin','Langevin'),('berendsen','Berendsen'))
-FF_CHOICE = (('FF2','JCC 30 2127 (2009) + JCTC 11 817-831 (2015)'),('opt-wtfsa-2','JCIM 57 2364-2377 (2017)'))
+FF_CHOICE = (('FF2','FF2 = JCC 30 2127 (2009) + JCTC 11 817-831 (2015)'),('opt-wtfsa-2','OPT-WTFSA-2 = JCIM 57 2364-2377 (2017)'))
 
 logger = logging.getLogger(__name__)
 
index 262603f..3d959f1 100644 (file)
@@ -209,7 +209,7 @@ def add_min_a(request,task_id):
         if form.is_valid():
              task.name=form.cleaned_data["name"]
              task.type="min"
-             task.min_choice=form.cleaned_data["min_choice"]
+#             task.min_choice=form.cleaned_data["min_choice"]
              task.min_overlap=form.cleaned_data["min_overlap"]
              task.min_searchsc=form.cleaned_data["min_searchsc"]
              task.min_maxmin=form.cleaned_data["min_maxmin"]