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When running psi4 under windows (version 1.4rc3.dev1, installed via conda) from within qiskit, the following error occurs:
```
File "C:\Users\user\Anaconda3\envs\qiskit-0-27-psi4-jupyter\Scripts\…
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https://mp.weixin.qq.com/s/ZCOoeQU6ysK9G8apTnfjvQ
ixxmu updated
2 years ago
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Hello, I have been trying to geometry optimize >100 dimer pairs of organic molecules. I have a 60% success rate. I am struggling with the 40% that fail. I have tried using second order convergence and…
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### Information
- **Qiskit Terra version**: 0.17.4
- **Python version**: 3.8.10
- **Operating system**: Windows 10
### What is the current behavior?
Script terminates with `IndexError…
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Hi all,
I've been trying to use the UCCSD ansatz generating functions, and have run into a couple of problems that I was hoping you could help me with. I've tried generating general UCCSD and singl…
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The following error results when running the code sample that follows. Run with `two_qubit_reduction=False` on the convertor and it works fine. I think the problem is more likely in the code in Terra,…
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which features to be decided. will need to look at MP prediction papers and what's freely and easily available.
Try grouping the features into categories based on what they intend to capture, so spec…
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The A3 (Assumptions section, page 4) should say that the inputed electron integrals will be in the spinorbital basis and not the molecular orbital basis.
The possibility of providing the inputs with…
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Atomic orbital calculations for single atoms with an even number of electrons do not compile for atoms such as Mg like they do in the old version.
When the orbital calculations do compile, they def…
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Hello,I meet a question about [cp2k@7.1] Failed to execute the self-test case.
### Steps to reproduce the issue
```console
[root@centos8 ~]#spack install -y openmpi@4.0.5 python@3.8.5
[root@ce…