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QCEngine supports executing a variety of quantum chemistry, semiempirical, and molecular mechanics programs. The programs currently supported appear to be:
```python
> from qcengine import list_al…
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### Steps to Reproduce
1. Create a user who has earned certificates in all the courses in a program, but isn't enrolled in the program
2. View the user's dashboard
### Expected Behavior
- On…
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Hello everybody.
I'm starting with programming, i'v worked with art, design and health. Well, i said that because i can have a very different point of view, and some (many) ideas, but can't execute.
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It appears to me that at this moment (clone of github master version from a few days ago), libxsmm will simply bypass all requests for GEMM kernels which have the LIBXSMM_GEMM_FLAG_TRANS_A flag set. F…
cgk-x updated
4 years ago
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This is part of the [JOSS Review](https://github.com/openjournals/joss-reviews/issues/1612). The following consists of several comments on the paper aspect of the JOSS submission and does not reflect …
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Dear All
Since 2016 or perhaps 2014, GAMESS has added the function to calculate reorganization energies of ET and proton-coupled ET reactions where one of the two necessary steps may fail on an old c…
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Dr.Faklerus raised a question on the NWCHEM forum, saying failing to run the QA for f2 IP-EOMCCSD calculation.
I find there is no prolem to finish the calculation using the original input to get the …
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A simple request. "Eh" is not currently in use, and it would be much nicer to type "Eh" than needing to type two shift-characters in a row.
"Eh" is the way "Hartree" is commonly written in plainte…
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# Questions about Creative Technology
Please respond to this issue, discussing at least three of these questions. As your classmates respond, you should come back, at least one more time, and respo…