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**Is your feature request related to a problem? Please describe.**
People like the conformer energies script. We should make one that also _generates_ conformers. However, we don't want people to con…
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As highlighted in PR #112 and #113, **@simplewebauthn/browser**'s `supportsWebAuthn()` method can't actually execute in browsers that _don't_ support WebAuthn, like IE11 and Edge Legacy, because those…
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Hi,
I am a new Gromacs user and came across your package which has the potential to be very useful to me. Unfortunately, I have had problems using MDPOW. I'm pretty sure Gromacs is installed proper…
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Github is generating too many emails for some people and is likely to be off-putting to those unused to working with this platform. Gmail collates these fairly painlessly, but other programs like Outl…
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## Description
7-series NUCs were discontinued in mid-April and are no longer officially available from Intel (tho probably still sporadically available at retail for a while). The recommended hard…
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> It is pretty easy --- but for now also limited to the tautomers we have been investigating. If you want to run an alchemical free energy calulation use this script: https://github.com/choderalab/neu…
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Dear Colleagues
I am very much interested in making use of mrchem.
However I cannot compile libgetkw on ubuntu 18-10!
I proceeded as follows.
I cloned MRchem , MRcpp and libgetkw from their …
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This tracks the DaWGs (Documentation Working Group )meetings for Ansible docs from Feb. 2020 through Dec. 2020. For 2021 agendas, see #579.
This team uses the following GitHub tracking boards:
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Hi:
I can't seem to get swappedDrops to run due to what appears to be some sort of file handling issue(?). Everything worked flawlessly when I followed the instructions to mock up the data and run…
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Sometimes we get unit test failures in `Utilities/DavixAdaptor`.
Likely, it is due to a temporary connection problem.
This issue is just to keep track of this problem.
In `CMSSW_11_1_X_2020-04-21…