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ftherrien / p2ptrans

An algorithm to match crystal structures atom-to-atom
http://p2ptrans.rtfd.io
51 stars 8 forks source link

p2p.in missing 2 #5

Closed Ash-Pera closed 4 years ago

Ash-Pera commented 4 years ago

Hi Félix, Some later change seems to have broken the p2p.in fix and made it required again.

Ash-Pera commented 4 years ago

With most recent version (as of 15:30 Jan 30, 2020) 5189de5:

 ________    _______  ________
|\   __  \  /  ___  \|\   __  \
\ \  \|\  \/__/|_/  /\ \  \|\  \
 \ \   ____\__|//  / /\ \   ____\
  \ \  \___|   /  /_/__\ \  \___|
   \ \__\     |\________\ \__\
    \|__|      \|_______|\|__|

__________TRANSFORMATIONS__________

Traceback (most recent call last):
  File "p2ptrans.py", line 1291, in <module>
    with open(filename, "r") as f:
FileNotFoundError: [Errno 2] No such file or directory: './p2p.in'
ftherrien commented 4 years ago

@Ash-Pera,

Yes I see, this is indeed a new issue...(The code now copies the namelist (p2p.in) file so you can see what paramaters you used when you originally ran the code). It will be fixed in the next commit which will be sometime tonight. For now you can just put an empty file there: "touch p2p.in".

Thank you for raising this issue! I really appreciate it!