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Add files via upload
- fix bug
1 parent 3556de3 commit 569a8d0

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Lines changed: 7 additions & 7 deletions

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multioptpy/ieip.py

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -1285,13 +1285,13 @@ def print_info(self, Mol):
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return
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def add_following(self, QMC):
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isConverged = False
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ladd_idx_list = np.argsort(self.add_energy_list)[::-1]
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print("### Start Large ADD Following. ###")
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prev_add_energy = 0.0
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decrease_count = 0
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for idx in ladd_idx_list:
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isConverged = False
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ladd_idx_list = np.argsort(self.add_energy_list)[::-1]
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print("### Start Large ADD Following. ###")
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prev_add_energy = 0.0
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decrease_count = 0
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for idx in ladd_idx_list:
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search_idx = self.add_energy_tag_list[idx][0]
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direction = self.add_energy_tag_list[idx][1]
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print("### --------------------------------- ###")

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