diff --git a/mlcvs/utils/fes.py b/mlcvs/utils/fes.py index bb08a8db..01da2c6f 100644 --- a/mlcvs/utils/fes.py +++ b/mlcvs/utils/fes.py @@ -171,7 +171,7 @@ def compute_fes(X, temp=300, kbt=None, num_samples=100, bounds=None, bandwidth=0 ax.errorbar(grid,fes2,error) else: ax.plot(grid,fes2) - ax.set_ylabel('FES [kJ/mol]') + ax.set_ylabel('FES') elif dim == 2: fes2 = np.copy(O) if plot_max_fes is not None: @@ -179,6 +179,6 @@ def compute_fes(X, temp=300, kbt=None, num_samples=100, bounds=None, bandwidth=0 extent = [item for sublist in bounds for item in sublist] pp = ax.contourf(fes2,cmap='fessa',extent=extent)#,vmax=max_fes) cbar = plt.colorbar(pp,ax=ax) - cbar.set_label('FES [kJ/mol]') + cbar.set_label('FES') return fes,grid,bounds,error \ No newline at end of file