-
Finalize draft of algorithm and proof for linear algebra with SVE
It commented - but its there - the original latex coming from the paper of gradient descent
for the algo and the proof of the linear…
-
Write about quantum minimum finding subroutines
Amplitude amplification and estimation has been generalized to minimum finding procedure
where they retain the quadratic speedup of the original techn…
-
Where did mobility table come from? This should be cited in the code.
https://github.com/swharden/JLJP/blob/b585ab99d78f39960f85b17988374f3445b7dadb/src/Ion.java#L29-L125
-
Hello. I just heard about chemlambda after coming from a λ-calculus experience. I have many questions. Please only answer them if you have the time to.
1. How does Chemlambda relate to optimal lambda …
-
When two lines have the same "title" AND "year" AND "authors" keep only one (the first? the most complete?)
Below the three key in ISI and SCOPUS:
- title --> ISI = TI / Scopus = Title
- year -->…
tommv updated
3 years ago
-
Hi everyone, thanks for helping so quickly. I have another problem now, which is that the Python interface isn't working.
```
~/software/xtb $ more test.py
import ctypes
from ctypes import cdll…
ekwan updated
4 years ago
-
### Describe the bug
Not sue this is really a bug, you github leaves me no choice ;)
I ran xtb with default parameters (charge 0) on the input molecule here:
[out.sdf.zip](https://github.com/grim…
-
I've started to use AccurateMassSearch to identify small molecules following a PeakPickerHiRes -> FeatureFinderMetabo -> FeatureLinkerUnlabeledQT workflow (in KNIME). This seems like a promising appro…
-
Hello,
my OpenMPI applications are crashing on our cluster, we do not know if this is due to an old linux kernel. Here is the info:
OpenMPI installed as
~~~
milias@login.grid.umb.sk:~/bin/open…
miroi updated
5 years ago
-
**Describe the bug**
It is impossible to compile `xtb` on our supercomputer. Indeed, it is a redhat derivatives, thus there is no static `-pthread`, `-lm` and `-ldl`. This is a bug in the sense that …