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1 parent db0d847 commit 74ab2c0Copy full SHA for 74ab2c0
1 file changed
aiida_fleur/workflows/scf.py
@@ -727,6 +727,10 @@ def get_res(self):
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'Assuming that the calculatin should be continued')
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self.ctx.last_nmmp_distance = self.ctx.wf_dict.get('nmmp_converged') + 1
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+ if self.ctx.hubbard1_occ_distance:
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+ self.ctx.last_hubbard1_occ_distance = self.ctx.hubbard1_occ_distance[-1]
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+ self.ctx.last_hubbard1_elem_distance = self.ctx.hubbard1_elem_distance[-1]
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+
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def condition(self):
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"""
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check convergence condition
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