author: ponychen
- preparing a PES.data, containing the 2D potential surface. The 1st, 2nd and 3rd columns indicate X, Y axis and energy value, respectively
- runing sort.py, then the PES.data being sorted will be applicale for matplotlib
- editing guess.data. 1st row: number of beads in initial path. 2nd row: start point of the initial guess path, containg X and Y aixs. 3rd row: end point of the initial guess path.
- running MEPSearcher.py. some default parameters in this py file can be adjusted by yourself. After convergence reached, the minimum energy path (MEP) will be stored in out.data.
- running draw.py. see results.