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qusers / Q6

Q6 Repository -- EVB, FEP and LIE simulator.
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qdyn6 gives incorrect error message #6

Closed dblahanelson closed 6 years ago

dblahanelson commented 6 years ago

Running qdyn6 without a fep files gives the error that the [atoms] section is missing from the fep file. It should say that it doesn't have a fep file at all.

kamerlin commented 6 years ago

That is basically what it is saying. It is fine as is.

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On Dec 6, 2017, 2:03 PM, at 2:03 PM, dblahanelson notifications@github.com wrote:

Running qdyn6 without a fep files gives the error that the [atoms] section is missing from the fep file. I think it should say that it doesn't have a fep file at all.

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acmnpv commented 6 years ago

I agree that the error message could state things more obviously, but this is not a pressing thing to fix :) If someone wants to work on this I'll of course have a look at it, but closing this for now