ase:jacapo:jcl
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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] – kimi | ase:jacapo:jcl [2019/05/22 14:51] – kimi | ||
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====== Class methods for JOB control ====== | ====== Class methods for JOB control ====== | ||
- | ===== calculate(self) | + | ===== calculate ===== |
+ | | ||
run a calculation. | 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