def get_potfit_obj(request):
import sys
sys.path.insert(0, str(request.config.rootdir))
import potfit
global potfit_obj
if potfit_obj == None:
potfit_obj = potfit.Potfit(__file__, model='kim')
return potfit_obj
def get_potfit_obj(request):
import sys
sys.path.insert(0, str(request.config.rootdir))
import potfit
global potfit_obj
if potfit_obj == None:
potfit_obj = potfit.Potfit(__file__, interaction='pair', model='apot', options=['evo'])
return potfit_obj
def get_potfit_tab_obj(request):
import sys
sys.path.insert(0, str(request.config.rootdir))
import potfit
global potfit_tab_obj
if potfit_tab_obj is None:
potfit_tab_obj = potfit.Potfit(__file__,
interaction='pair',
model='tab')
return potfit_tab_obj
def get_potfit_obj(request):
import sys
sys.path.insert(0, str(request.config.rootdir))
import potfit
global potfit_obj
if potfit_obj == None:
potfit_obj = potfit.Potfit(
__file__,
interaction='pair',
model='apot',
git_patch='add_really_long_function_name.patch')
return potfit_obj