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### Bug summary
Hi everyone,
I am trying to run gmx_MMPBSA on a DNA-aptamer-ligand trajectory obtained in Gromacs using the CHARMM ff. I successfully ran the calculations using the complex trajec…
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### 🐛 Describe the bug
As per title. As an example, let's consider the `sampled_addmm` method which is semantically equivalent to
`sampled_addmm(s, m1, m2, alpha, beta) := alpha * (m1 @ m2).sparse…
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Havard Damm-Johnsen has SageMath code (https://github.com/havarddj/drawspec) to draw the spectrum of the ring of integers of a number field. This could be a nice thing to display on our number field …
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@iBatistic : this seems like a good place to discuss the test cases.
# Verification case
I looked at implementing the analytical solution from Timoshenko and Goodier for the stress around a spheri…
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After letting a Laser pulse propagate through the viewing window and it getting reflected at the y_max plane, there is a field visible at the y_min Huygens surface. I assume it is stationary but near…
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Hello everyone,
I have been using SPECFEM3D for ground motion simulations for some time and now plan to delve deeper into the code to study the algorithms. However, I am struggling to understand th…
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Incorporate work done by Rado Kirov and Jackie Anderson at Sage Days 22, based on Magma implementation by Cremona's student Nook.
See also #12095 (now tagged as duplicate).
Converted to git by Joh…
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### Bug summary
i am running multi trajectory mmpbsa calculations using gmx_MMPBSA. i keep getting this error
### Terminal output
```bash
$ gmx_MMPBSA -O -i mmpbsa.in -cs mmpbsa.tpr -ci index_c.ndx…
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Hi!
First, let me thank you all for the amazing paper! It's detailed enough that I've managed to successfully reproduce Nyströmformer in Tensorflow and so far I'm impressed how well it works in my …
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The current `Dense` matrix can be used simultaneously as a regular dense matrix and as multiple column vectors combined (multivector/MV). In the class documentation, the case of multiple column vector…