ase:jacapo:jcl
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| 次のリビジョン | 前のリビジョン次のリビジョン両方とも次のリビジョン | ||
| ase:jacapo:jcl [2019/05/22 14:48] – 作成 kimi | ase:jacapo:jcl [2019/05/22 14:51] – kimi | ||
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| - | Class methods for JOB control | + | ====== |
| + | ===== calculate ===== | ||
| + | calculate(self) | ||
| + | run a calculation. | ||
| + | you have to be a little careful with code in here. Use the calculation_required function to tell if a calculation is required. It is assumed here that if you call this, you mean it. | ||
| + | |||
| + | ===== calculation_required ===== | ||
| + | calculation_required(self, | ||
| + | determines if a calculation is needed. | ||
| + | |||
| + | return True if a calculation is needed to get up to date data. | ||
| + | return False if no calculation is needed. | ||
| + | |||
| + | quantities is here because of the ase interface. | ||
ase/jacapo/jcl.txt · 最終更新: 2022/08/23 13:34 by 127.0.0.1