In [1]:

    

#Setup env
import sys
sys.path.append("../build/python")
import edm, random
%load input.edm


    

In [2]:

    

%%writefile input.edm
tempering		0
hill_prefactor		1.0
dimension 		1
box_low			0.0
box_high		1.0
bias_spacing		0.01
bias_sigma		0.5


    

    




Overwriting input.edm

In [3]:

    

bias = edm.EDMBias("input.edm", 1, 1)


    

In [4]:

    

box_lo = [0.0]
box_hi = [10.0]
periodic = [True]

bias.set_box(box_lo, box_hi,periodic)


    

In [5]:

    

bias.add_hill([0.25])


    

In [6]:

    

bias.get_force([0.24])


    

    
Out[6]:





(1.1002417338159258, [-0.6144025830861709])

In [ ]:

    

bias.pre_add_hill(1)
%time bias.add_hill_r([0.5], 1)
bias.post_add_hill()


    

In [4]:

    

%timeit bias.add_hill([0.5])


    

    




10000 loops, best of 3: 28 µs per loop

In [ ]: