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Hello, I was playing around with the gbasis and mocoeffs attributes a little bit. I was hoping to create a script ( [cc2molden](https://sourceforge.net/p/theodore-qc/code/ci/master/tree/bin/cc2molden…
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### Team Name:
* Emilio Pelaez (worked by myself)
### Project Description:
For this project, I used Qiskit to implement the self-learning algorithm introduced in [arXiv:2005.14075](https://…
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Flatpak is a giant step in the right direction and the possibility of a secure, distro agnostic package is something that can potentially make the life of the scientific community much easier. It is n…
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Hello, Martin.
Can't find this improvement proposal in any opened nor closed issues. So, what about making categories with different levels, forming a kind of hierarchy? The problem is that my base…
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- http://chemistry.jhu.edu/directory/david-yarkony/
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Hi, I felt as though the AtomsBase package had a lot of potential to be a great way for all Julia chemistry and materials science folks to outsource their structures (and simulation trajectories) visu…
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**Please describe what you would like the feature to accomplish.**
Currently, the open systems simulator supports discrete intrinsic operations such as `H`, `S`, or `T`, but does not yet support in…
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### What is the expected behavior?
Dear Qiskit
In the current implementation of the vibrational UCC ansatz to compute bosonic energy spectra in quantum chemistry (Ollitrault, et. al, https:/…
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Hi there, I would like to try your example.py but I have no idea what corpus are to use/ I have just started learning python and machine learning and I am really confused. In your using guide example:…
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hello, I wish to build the SAD Guess independently in `psi4` without running any SCF calculation. is this possible?
I came across this page in the docs: https://psicode.org/psi4manual/master/api/ps…