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标题: pysoc问题-soc.py语法 [打印本页]

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Author: hnu_hbyi 时间: 2022-6-25 08:53
标题: pysoc问题-soc.py语法
运行psoc.sh出现如下问题，似乎是由于soc.py导致soc_td_input.dat的生成出错。请指导下。谢谢！
------------
File "/vol6/home/hnu_hbyi/chem/PySOC/pysoc/bin/soc.py", line 359
trans_dict = {trans_key[k]: ci_coeff[np+k] for k in range(ndim)}
                                             ^
SyntaxError: invalid syntax
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 171, file /vol6/home/hnu_hbyi/calc/td/soc_td_input.dat
Image             PC             Routine          Line       Source
soc_td          0000000000492F7D  Unknown             Unknown  Unknown
soc_td          0000000000491A85  Unknown             Unknown  Unknown
soc_td          000000000044A939  Unknown             Unknown  Unknown
soc_td          000000000041E24F  Unknown             Unknown  Unknown
soc_td          000000000041DA82  Unknown             Unknown  Unknown
soc_td          0000000000426F0D  Unknown             Unknown  Unknown
soc_td          000000000040877D  Unknown             Unknown  Unknown
soc_td          0000000000402BAE  Unknown             Unknown  Unknown
soc_td          0000000000402B4C  Unknown             Unknown  Unknown
libc.so.6       00000039C9A1ECDD  Unknown             Unknown  Unknown
soc_td          0000000000402A49  Unknown             Unknown  Unknown
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