这里会显示出您选择的修订版和当前版本之间的差别。
两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 | ||
adf:problemsandsol [2019/04/17 16:37] – [理论的疑惑与理解] liu.jun | adf:problemsandsol [2024/04/12 17:09] (当前版本) – [从*.logfile检查报错] liu.jun | ||
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=====从*.logfile检查报错===== | =====从*.logfile检查报错===== | ||
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命令行报错: | 命令行报错: | ||
* [[adf: | * [[adf: | ||
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=====从*.out检查报错===== | =====从*.out检查报错===== | ||
* [[adf: | * [[adf: | ||
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=====保存文件时提示===== | =====保存文件时提示===== | ||
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* [[analyticalfreq]] | * [[analyticalfreq]] | ||
=====修改输入文件===== | =====修改输入文件===== | ||
- | * [[adf:如何为对称性的分子指定电子的占据方式]] | + | * [[adf:occupationsofadf]] |
- | * [[adf: | + | |
* [[adf: | * [[adf: | ||
* [[http:// | * [[http:// | ||
- | * [[adf:diffbasisfordiffelement]] | + | * [[adf:diffbasisfordiffelement2020]] |
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=====关于图形化显示的一些常用设置===== | =====关于图形化显示的一些常用设置===== | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | * [[adf:ADFview中,如何进行函数的加减]] | + | * [[adf:ADFviewcalculate]] |
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
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=====理论的疑惑与理解===== | =====理论的疑惑与理解===== | ||
* [[adf: | * [[adf: | ||
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=====特殊设置===== | =====特殊设置===== | ||
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* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
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* [[adf: | * [[adf: | ||
* [[adf: | * [[adf: | ||
- | * [[adf:imaginaryfreq]] | + | * [[adf:imaginaryfreq2020]] |
* [[adf: | * [[adf: | ||
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=====其他===== | =====其他===== | ||
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