diff --git a/nexus/lib/pseudopotential.py b/nexus/lib/pseudopotential.py index 6a1bc2f11..4c0062071 100644 --- a/nexus/lib/pseudopotential.py +++ b/nexus/lib/pseudopotential.py @@ -1121,7 +1121,7 @@ class SemilocalPP(Pseudopotential): if self.name!=None: lab = self.name+' '+lab #end if - v = self.evaluate_channel(r,c,rpow,rmin-1e-12,with_local,with_L2) + v = self.evaluate_channel(r,c,rpow,rmin-1e-12,False,with_local,with_L2) rng = r>rmin-1e-12 r = r[rng] if metric=='r2': @@ -1202,7 +1202,10 @@ class SemilocalPP(Pseudopotential): #end def plot_positive_definite - def plot_L2(self,show=True,fig=True,r=None,rmin=0.01,rmax=5.0,linestyle='-',title=None): + def plot_L2(self,show=True,fig=True,r=None,rmin=0.01,rmax=5.0,linestyle='-',title=None,color=None): + if fig: + figure(tight_layout=True) + #end if if r is None and self.numeric: r = self.r elif r is None: @@ -1211,7 +1214,9 @@ class SemilocalPP(Pseudopotential): vs = self.evaluate_channel(r,'s',with_local=True,rmin=rmin-1e-12) for c in self.l_channels[1:]: if c in self.components: - color = self.channel_colors[c] + if color is None: + color = self.channel_colors[c] + #end if v = self.evaluate_channel(r,c,with_L2=False,rmin=rmin-1e-12) rng = r>rmin-1e-12 r = r[rng]