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Finish writing the Stastics File. Add error bar calcutions to it botstrap etc and find a better way to store the data file.
_Need to find out how to correctly graph the data from python. Look that up…
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Hi,
I am trying to follow the documentation for CISD: https://pyscf.org/pyscf_api_docs/pyscf.ci.html#module-pyscf.ci.cisd,
My understanding is that you first run a Hartree Fock method to get the…
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We should build something to handle wavefunctions of particles and display them, like quantum minigolf does, as they reflect off arbitrary surfaces or tunnel through walls.
We don't have to make it p…
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Suppose I would like to achieve the following purposes based on the wavefunction analysis from WAVRCAR:
1. Calculate the topological number based on the exact form of wavefunction, aka, an n*1 arra…
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Currently the docstring for the abstract type `Basis` states
```
The Basis class is meant to specify a basis of the Hilbert space of the
studied system. Besides basis specific information all subcl…
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This function is critical to the implementation of `readWAVECAR()` and was adapted from some of the WaveTrans code, but I honestly can't be sure what it's actually doing.
From what I understand, th…
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Hi,
I've noticed that the bit order is wrong when sampling from a wavefunction with the `sample_bitstrings()` method. It returns bitstrings in little endian order, which is different from using a Q…
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In pyQuil < 2.0, it was possible to simulate postselection when simulating wavefunctions, with codes of this style:
```python
from pyquil import Program
from pyquil.api import QVMConnection
from…
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Following changes are proposed for improving usability and ease of development
- a script for running "main" calculations
- a script for generating the code for running a calculation
- remove `dt…
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After a discussion with Paul via email, I'm opening an issue on the following problem we've been having.
Relevant files are in the following [gist.](https://gist.github.com/shivupa/be015ce65ad7cd…