Discussions

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  Can CrySPY perform variable component prediction or variable Z-value prediction？

  Lamed-git started May 12, 2024 in General

  

  

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  CrySPY version 1.2.5

  Tomoki-YAMASHITA announced May 10, 2024 in Announcements

  

  

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  CrySPY version 1.2.4

  Tomoki-YAMASHITA announced May 7, 2024 in Announcements

  

  

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  Unexpected stop of structure generation of molecular crystal

  takuyhaa asked Dec 26, 2023 in Q&A · Unanswered

  

  

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  Issue with 'log.tote' File Not Found in CrySPY

  kubb00 asked Dec 23, 2023 in Q&A · Answered

  

  

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  results

  ferroteam started Oct 25, 2023 in General

  

  

  

  

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  some issues with postprocessing

  ferroteam started Oct 15, 2023 in General

  

  

  

  

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  Multiple stages for ASE interface

  enssow asked Sep 26, 2023 in Q&A · Answered

  

  

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  CrySPY with CHGNET

  Tomoki-YAMASHITA announced Aug 9, 2023 in Announcements

  

  

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  Update CrySPY utility

  Tomoki-YAMASHITA announced Jul 23, 2023 in Announcements

  

  

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  CrySPY version 1.2.0

  Tomoki-YAMASHITA announced Jul 10, 2023 in Announcements

  

  

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  CrySPY version 1.1.1

  Tomoki-YAMASHITA announced Jun 14, 2023 in Announcements

  

  

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  CrySPY version 1.1.0

  Tomoki-YAMASHITA announced May 16, 2023 in Announcements

  

  

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  CrySPY Document

  Tomoki-YAMASHITA announced Mar 20, 2023 in Announcements

  

  

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  CrySPY version 1.0.0

  Tomoki-YAMASHITA announced Mar 16, 2023 in Announcements

  

  

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  Update: extract_struc.py

  Tomoki-YAMASHITA announced Dec 1, 2022 in Announcements

  

  

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  What is mol_bs?

  zhs047 asked Nov 20, 2022 in Q&A · Answered

  

  

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  途中のアルゴリズムの変更

  nim-hrkn started Sep 16, 2022 in General

  

  

  

  

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  values of job_stat

  nim-hrkn started Sep 28, 2022 in General

  

  

  

  

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  lammpsのstress tensor

  nim-hrkn started Sep 19, 2022 in General

  

  

  

  

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  aiida_cryspy

  nim-hrkn started Sep 7, 2022 in General

  

  

  

  

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  LAQAの書き方

  nim-hrkn started Sep 15, 2022 in General

  

  

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  BOの初期構造

  nim-hrkn started Sep 15, 2022 in General

  

  

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  cryspy.stat のNone

  nim-hrkn started Sep 14, 2022 in General

  

  

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  乱数の固定

  nim-hrkn started Sep 8, 2022 in General

  

  

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