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@cryos Could you outline the changes you would like to see the molecule viz menu?
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Hello,
I install psi4 from github in Ubuntu 16.04 with most recent version of intel MKL library, then I test using ctest.
I have one test "dft-custom-gga" failed. And I wonder how I can do to pas…
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FYI:
I just wanted to cross list this issue raised on the ProjectQ page
https://github.com/ProjectQ-Framework/ProjectQ/issues/218
as the error message comes from OpenFermion-ProjectQ
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HAve been proceeding as instructed with the installation of tensorflow and vampnet.
I followed the install tensorflow on Windows 7 using anaconda. This had me create a tensorflow environment, and …
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@scottfredericks , I suggest you start with the code which we had for atomic crystals.
1, copy structure.py to a new file (structure_molecule.py?)
2, for a given molecule (like H2O), we still rand…
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I'm encountering a segfault while training on the Toronto Book Corpus.
For training I'm using:
`./fasttext sent2vec -input ../input.txt -output my_model -minCount 5 -dim 700 -epoch 12 -lr 0.2 -wordN…
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Using NWCHEM6.8 molden file output through JANPA, a series of errors has come up.
Molden2molden with cart2pure flag is used to convert NWChem molden file to an acceptable input to JANPA
The new …
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Hello everyone,
I am trying to simulate H-Li in quantum computer. Until psi4, everything works fine. Please let me explain with more details. (I apologize for the length.)
### Classical calculatio…
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@albalu @dyllamt
Can you implement the atomic orbital code as a Composition featurizer that gives the pertinent info? I think it's called MolecularOrbitals in pymatgen although I am not sure they …
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We'll want routines that make it very easy to prepare arbitrary fermionic Gaussian states and arbitrary mean-field states, as well as routines that implement arbitrary single-particle basis rotations …