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> I would like to ask the PhET team if a new feature could be added to the Molecular Shapes simulation through an update. I propose the addition of an option to show the XYZ axis in the simulation so …
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Purpose: The molecular weight of several molecules should be easily kept in synch. Thus, only one MW is to be defined as numerical value, whereas others are set by a formula. This procedure currently …
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Dear Sirah Developers/Users,
Is there some documentation on generating parameters for new residues like norleucine, for example?
I would be really grateful for any suggestions.
Best,
Amin.
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**Summary**
As the title says
**Detailed Description**
According to the documentation: https://docs.lammps.org/Speed_gpu.html, FFT uses CPU to take advantage of MPI communication between proc…
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# Question : Create a script that monitors and optimizes the performance of a quantum-inspired quantum molecular dynamics simulation for quantum materials research.
Path to create the file : `svvNwE/…
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Instead of hardcoding the UI parts of the workflow, the frontend should receive some data that describes the UI to be displayed. Individual steps will be hardcoded in and referenced by the app data (…
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In this issue, [comment with `@njzjz-bot `](https://github.com/njzjz/wenxian/issues/23#issuecomment-2121998880):
```
@njzjz-bot 2312.15492
```
[The GitHub Actions will reply](https://github.co…
njzjz updated
3 months ago
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Keeping a running list of sanity checks for molecular simulation
* Charge neutrality
* Overly-long bonds (will need MIC information)
* Rigid bonds that aren't at their equilibrium bond length
* …
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```
Purpose of the feature: algoritmo para implementar + medir
Expected Difficulty: 1/10
1.- EP Embarrassingly Parallel
2.- N-Body simulation
3.- MD Molecular Dynamics
4.- Helmholtz-Jacobi
```
Or…
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Currently, there is an optional parameter for HITRAN_units in absorptionCoefficient_Voigt (and the other lineshape versions of this function), however it is never used within the function. I'm assumin…