-
**Describe the bug**
The integrated charge from the spin density is not correct when using the batched driver.
**To Reproduce**
An isolated Boron atom (N_up = 2, N_down = 1) was simulated in a la…
-
### Expected behavior
When additional controls are applied (with `qml.ctrl`) to operations that already have controls, all qubits that are doing the controlling should be indicated as such in the dra…
-
### Expected behavior
Non-parametric operations have an adjoint method definition such as:
```python
def adjoint(self):
return SomeOperation(wires=self.wires).inv()
```
This definition *…
-
I am trying to find a relatively efficient way of calculating a lower bound of the ground state energy of a given molecule. I have found nothing implemented, but this article https://pubs.acs.org/doi/…
-
This is a placeholder for one of the next big steps in the development process: an API to encapsulate the ME calculation in a single class. Let's call this a "ME engine" or "ME kernel launcher" for th…
-
I am encountering a problem when doing CCSD(T)/aug-cc-pvtz single point calculations with ghost atoms.
Here is an example input python script:
```
import psi4
geo = """
1 1
N …
-
Hello dear Shankar.
Despite some good experience with JDFTx recently I ran into trouble with thread placement. I asked local sysadmins for help but after long time playing with diferent options we …
-
**Describe the bug**
Noticed that for the most recent version of develop, I get the following two unit test failures for the mixed precision (real and complex) builds:
10 - deterministic-unit_tes…
-
-
### Environment
- `qiskit-terra: '0.21.0':
- `python: '3.9.12'`:
- Ubuntu-20.04 windows subsystem for Linux running on Windows 10:
- `numpy: 1.21.5`
### What is happening?
`QuantumCircu…