Skip to content

Commit

Permalink
modified several parameter hints to allow the use of the models on th…
Browse files Browse the repository at this point in the history
…e binding energy scale as well
  • Loading branch information
Julian-Hochhaus committed Aug 16, 2024
1 parent e8a97c5 commit aa2e211
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions lmfitxps/models.py
Original file line number Diff line number Diff line change
Expand Up @@ -102,7 +102,7 @@ def __init__(self, *args, **kwargs):
def _set_paramhints_prefix(self):
self.set_param_hint('kt', value=0.02585, min=0) # initial value is room temperature
self.set_param_hint('sigma', value=0.2, min=0)
self.set_param_hint('center', value=100, min=0)
self.set_param_hint('center', value=100)
self.set_param_hint('amplitude', value=100, min=0)

def guess(self, data, x=None, **kwargs):
Expand Down Expand Up @@ -212,10 +212,10 @@ def _set_paramhints_prefix(self):
The method sets initial values and constraints for the parameters 'B', 'C', 'C_d', 'D', and 'extend'.
"""
self.set_param_hint('B', value=2886, min=0)
self.set_param_hint('C', value=1643, min=0)
self.set_param_hint('C_d', value=1, min=0)
self.set_param_hint('D', value=1, min=0)
self.set_param_hint('B', value=2886)
self.set_param_hint('C', value=1643)
self.set_param_hint('C_d', value=1)
self.set_param_hint('D', value=1)
self.set_param_hint('extend', value=0, vary=False)

def guess(self, data, x=None, **kwargs):
Expand Down Expand Up @@ -325,8 +325,8 @@ def _set_paramhints_prefix(self):
The method sets initial values and constraints for the parameters :math:`k` and :math: `const`.
"""
self.set_param_hint('k', value=0.03, min=0)
self.set_param_hint('const', value=1000, min=0)
self.set_param_hint('k', value=0.03)
self.set_param_hint('const', value=1000)

def guess(self, data, x=None, **kwargs):
"""
Expand Down

0 comments on commit aa2e211

Please sign in to comment.