示例#1
0
文件: eos.py 项目: srirampr/abipy
    def OnFitButton(self, event):
        model = self.model_choice.GetStringSelection()

        try:
            eos = EOS(eos_name=model)
            fit = eos.fit(self.volumes, self.energies, vol_unit=self.vol_unit, ene_unit=self.ene_unit)
            print(fit)
            fit.plot()

        except:
            awx.showErrorMessage(self)
示例#2
0
文件: eos.py 项目: gmrigna/abipy
    def OnFitButton(self, event):
        model = self.model_choice.GetStringSelection()

        try:
            eos = EOS(eos_name=model)
            fit = eos.fit(self.volumes, self.energies, vol_unit=self.vol_unit, ene_unit=self.ene_unit)
            print(fit)
            fit.plot()

        except:
            awx.showErrorMessage(self)
示例#3
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 def test_fit(self):
     """Test EOS fit"""
     for eos_name in EOS.MODELS:
         eos = EOS(eos_name=eos_name)
         fit = eos.fit(self.volumes, self.energies)
         print(fit)
示例#4
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 def test_fit(self):
     "Test EOS fit"
     for eos_name in EOS.functions:
         eos = EOS(eos_name=eos_name)
         fit = eos.fit(self.volumes, self.energies)
         print(fit)
示例#5
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 def test_fit(self):
     """Test EOS fit"""
     for eos_name in EOS.MODELS:
         eos = EOS(eos_name=eos_name)
         fit = eos.fit(self.volumes, self.energies)
         print(fit)
示例#6
0
 def test_fit(self):
     "Test EOS fit"
     for eos_name in EOS.functions:
         eos = EOS(eos_name=eos_name)
         fit = eos.fit(self.volumes, self.energies)
         print(fit)