Muhammad Firmansyah Kasim
Muhammad Firmansyah Kasim
Temporarily fixed by setting the backward algorithm in those test into `"exactsolve"`. Setting it to `"cg"` will still produce an error.
Hi, thanks for raising the issue. This type of bugs usually occurs when a dependency on a variable disappear in the first grad. For example, if the function is `f...
Nice! Thank you very much for the benchmarking. Would you mind to add a README.md file in the `benchmarks` directory a short instruction (+ maybe link to the napari page),...
This is a good question and request. I did a small scale benchmarking for the [DQC paper](https://arxiv.org/abs/2110.11678) in [here](https://github.com/diffqc/dqc-apps/blob/main/00-speed-comparison/Speed%20comparison.ipynb). However, it only tests small molecules (the largest one was C6H8O6...
I've always wanted to use asv but had no time (and enough motivation) to actually learn and use it, so it is a happy coincident! Let me list the things...
Thanks for your answer! I'll try to digest it first.
Hi, currently there's no direct way to get the wavefunctions at given coordinates. Only density at given coordinate.
It's compatible now with 2.3
I found a very strange behaviour regarding the error on this PR. The tests are passed for `complex64`, but it fails on `complex128` although I did no special treatment for...
Thanks, @lezcano! Another alternative is to use `hypot`: ```python import torch def div(lhs, rhs): # (a + i * b) / (c + i * d) a, b = lhs.real,...