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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…
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I used openblas for blas/lapack functions in the erkale project, and it fails. erkale's author says that openblas is broken, see https://github.com/susilehtola/erkale/issues/29#issuecomment-441006738
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(From http://cclib.sourceforge.net/wiki/index.php/Progress)
```
attributes for charge and multiplicity were recently added, see how they fit in with passing objects to OpenBabel or PyQuante
```
Als…
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It would be great to move the finite difference code Python-side for a variety of reasons.
This would require the following steps:
- [x] Finished exporting `CdSalcList` to Python, see `psi4/src/ex…
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Today, if you compile a .chpl file without providing a `-o` argument, you get `a.out`.
``` chapel
// foo.chpl
writeln("Hi");
```
```
$ ls
foo.chpl
$ chpl foo.chpl
$ ls
a.out foo.chp…
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We should implement a new Preprocessor that takes FCIDUMP formatted kernels and produces our usual FermionCompiler format that can then be used in the rest of our workflow.
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We welcome feedback on this draft - please either:
1. Add a comment to this issue.
2. File a separate issue in this repository.
3. Submit a pull request proposing a change to `robust-software.tex` (by…
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from @alanedelman:
We really should think carefully about how the transpose of a vector should dispatch the various `A_*op*_B*` methods. It must be possible to avoid new types and ugly mathematics. F…
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Dear all,
I am trying to make FCI/aug-cc-pVTZ calculation on a fluoride-anion. The input file is:
memory 48000 mb
molecule h2o {
-1 1
F .0000000000 .0000000000 -.000000000
un…
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I don't write any tests for my code. I know, I'm a bad person.
I would like to learn how to write effective tests and thought maybe there would be other people in the group that would also enjoy a ta…