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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!
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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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