Constants

[peonor]

I would like a general mechanism where ALL values that are now set in "constants.py", and a few from other files (like "do_svd") could be overridden by a setting file in the parameterization directory. Wouldn't need to be complex, we could just have lines with "keyword=value"

[ericchansen]

I'm partial to the settings going into your loop input file. Then you could run multiple jobs with different settings with only one installation of Q2MM (more like how Gaussian or any large software package functions). Suppose we could have a file like you mentioned for the defaults, but then those could be overwritten with arguments in the loop input file? Best of both worlds?

[peonor]

Fine, any solution that means you don’t have to modify the .py code, and allows multiple instances to run. I don’t need the settings file if you can read ALL possible settings from the input file, but I’d like to have reasonable defaults somewhere (that don’t change every time you update the code…).

/Per-Ola

From: Eric Hansen [mailto:[email protected]]
Sent: den 15 juni 2016 14:03
To: Q2MM/q2mm [email protected]
Cc: Norrby, Per-Ola [email protected]; Author [email protected]
Subject: Re: [Q2MM/q2mm] Constants (#17)

I'm partial to the settings going into your loop input file. Then you could
run multiple jobs with different settings with only one installation of
Q2MM (more like how Gaussian or any large software package functions).

Suppose we could have a file like you mentioned for the defaults, but then
those could be overwritten with arguments in the loop input file? Best of
both worlds?

—
You are receiving this because you authored the thread.
Reply to this email directly, view it on GitHubhttps://github.com//issues/17#issuecomment-226167128, or mute the threadhttps://github.com/notifications/unsubscribe/ANVSNAW1g_a01DNCaxA0BKjP404gkbbdks5qL-n1gaJpZM4I2DE1.

---

Confidentiality Notice: This message is private and may contain confidential and proprietary information. If you have received this message in error, please notify us and remove it from your system and note that you must not copy, distribute or take any action in reliance on it. Any unauthorized use or disclosure of the contents of this message is not permitted and may be unlawful.

[ericchansen]

Reasonable defaults should be discussed in issue #9 (and please do offer your suggestions, I need them!).