andersx

# A simple energy minimization program that uses steepest descent 
# and a force field to minimize the energy of water in internal coordinates.
# Written by Jan H. Jensen, 2013


def Eandg(rOH,thetaHOH):

    """"
    Arguments: (internal coordinates of the water molecule)

andersx

#include <sys/time.h>
#include <stdlib.h>
#include <iostream>
#include <math.h>

static unsigned int g_seed;

inline int fastrand() {
  g_seed = (214013*g_seed+2531011);
  return (g_seed>>16)&0x7FFF;