git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12612 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2014-10-07 20:30:25 +00:00
parent 3c0612815f
commit 044084847b
33 changed files with 2284 additions and 2595 deletions

View File

@ -1,3 +1,5 @@
/// -*- c++ -*-
#include <cmath>
#include "colvarmodule.h"
@ -162,10 +164,11 @@ void colvar::alpha_angles::calc_value()
void colvar::alpha_angles::calc_gradients()
{
for (size_t i = 0; i < theta.size(); i++)
size_t i;
for (i = 0; i < theta.size(); i++)
(theta[i])->calc_gradients();
for (size_t i = 0; i < hb.size(); i++)
for (i = 0; i < hb.size(); i++)
(hb[i])->calc_gradients();
}