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1 parent 3556de3 commit 569a8d0Copy full SHA for 569a8d0
1 file changed
multioptpy/ieip.py
@@ -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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-
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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:
+
+ isConverged = False
+ ladd_idx_list = np.argsort(self.add_energy_list)[::-1]
+ print("### Start Large ADD Following. ###")
+ prev_add_energy = 0.0
+ decrease_count = 0
+ 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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