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interpolation error #8

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rezabma opened this issue Jul 21, 2019 · 0 comments
Open

interpolation error #8

rezabma opened this issue Jul 21, 2019 · 0 comments

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@rezabma
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rezabma commented Jul 21, 2019

Dear Nick,
in neb_simple.lua file, if the user uses 3 input data (initial.xyz, final.xyz, and N) for interpolation, he/she gets error. This is because that in line 46-70 the code tries to open the files that don't exist.

By the way, I got the middle class from git, thank you. It is a good idea to place these information in the manual of siesta.
Thanks,
Reza
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