From fe9db433a96062b256d7578d48f3e12995344ce2 Mon Sep 17 00:00:00 2001
From: Chris Maffeo <cmaffeo2@illinois.edu>
Date: Tue, 26 Mar 2019 17:21:13 -0500
Subject: [PATCH] Updated HarmonicPotential in interactions.py to more easily
allow overriding
---
arbdmodel/interactions.py | 5 ++++-
1 file changed, 4 insertions(+), 1 deletion(-)
diff --git a/arbdmodel/interactions.py b/arbdmodel/interactions.py
index 3dc4a6c..8b7ae92 100644
--- a/arbdmodel/interactions.py
+++ b/arbdmodel/interactions.py
@@ -78,6 +78,9 @@ class HarmonicPotential():
def __str__(self):
return self.filename()
+ def potential(self, dr):
+ return 0.5*self.k*dr**2
+
def write_file(self):
r = np.arange( self.rRange[0],
self.rRange[1]+self.resolution,
@@ -89,7 +92,7 @@ class HarmonicPotential():
assert(rSpan > 0)
dr = np.mod( dr+0.5*rSpan, rSpan) - 0.5*rSpan
- u = 0.5*self.k*dr**2
+ u = self.potential(dr)
maxForce = self.maxForce
if maxForce is not None:
--
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