seminar:jacapo_ref
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| 両方とも前のリビジョン前のリビジョン次のリビジョン | 前のリビジョン | ||
| seminar:jacapo_ref [2019/05/22 14:36] – [example] kimi | seminar:jacapo_ref [2022/08/23 13:34] (現在) – 外部編集 127.0.0.1 | ||
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| 行 42: | 行 42: | ||
| </ | </ | ||
| ===== Class methods ===== | ===== Class methods ===== | ||
| + | * [[ase: | ||
| + | * [[ase: | ||
| + | * [[ase: | ||
| + | * [[ase: | ||
| + | * [[ase: | ||
| + | * [[ase: | ||
| ===== Static methods ===== | ===== Static methods ===== | ||
| <code python> | <code python> | ||
| 行 56: | 行 61: | ||
| </ | </ | ||
| this method is here for legacy purposes. I used to use it alot. | this method is here for legacy purposes. I used to use it alot. | ||
| - | ==== Function ==== | + | ===== Function |
| function read in module ase.calculators.jacapo.jacapo: | function read in module ase.calculators.jacapo.jacapo: | ||
| 行 63: | 行 68: | ||
| </ | </ | ||
| return atoms and calculator from ncfile | return atoms and calculator from ncfile | ||
| + | ==== example ==== | ||
| <code python> | <code python> | ||
| atoms, calc = read(' | atoms, calc = read(' | ||
seminar/jacapo_ref.1558503399.txt.gz · 最終更新: 2022/08/23 13:34 (外部編集)