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nexus: fix pseudo plots

This commit is contained in:
Jaron Krogel 2020-01-16 15:28:05 -05:00
parent d81134260c
commit 6c7c3ff755
1 changed files with 8 additions and 3 deletions
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11
nexus/lib/pseudopotential.py
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@ -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]