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Hi Yuki Nagai,
Would it be possible to add a single and 4 molecules water example to this repository to test if the setup of PIMD with QE works?
I tried running PIMD+QE but getting this error:
`E…
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# Problem
In automated tests, it's desirable to control time. It is achieved by something
typically called a _fake clock_.
The [Use a fake system clock](http://www.javapractices.com/topic/TopicAc…
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### Bug Description
The regression test is reporting for liquid_oxidation-core.log
```
Test model has 37 species.
Original model has 37 species.
Test model has 216 reactions.
Original model …
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### Bug Description
The regression tests are showing up differences between models, when no relevant changes to RMG have been made. The differences seem to be random
```
Non-identical kinetics!
…
rwest updated
10 months ago
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```
tomas.kazragis posted:
Does torrentwatch works for you with http://www.mininova.org/ or
http://www.demonoid.com/ or other trackers where in torrent link is not a
*.torrent file? I don't unders…
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Atom: 1.56.0
OS: Mac OS Big Sur Version 11.2.3
Deprecated calls from Atom Core
Stack Trace
atom core (1 deprecation)
Use require("electron").shell instead of require("shell")
Object. - /A…
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*@brennv commented on Jun 8, 2018, 7:54 PM UTC:*
## Summary
The initial github auth flow is a little wonky. In the initial box, checking remember me seems silly cause there are two more dialog boxes…
ghost updated
6 years ago
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Hello,
I have been encountering the following problems on SQLShare over the weekend:
1. Save Query- There are two cases (a) the dialog box opens up, but nothing happens (statis image) after clicking…
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Hello pyscf developers,
The EOM classes lack a trans_rdm1 or make_rdm1 function. Is there any way to achieve this functionality with the existing code for EOM-EA/IP?