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It would be nice if PINT had a function to write out a timing model in LaTeX table form, suitable for pasting into a publication. Tempo2 has such a plugin.
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Hi. I want to implement molecular hessian im my code. Since there are usually too many second-order derivatives of electron integrals to save in memory, in my code I computed each integral derivative'…
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Since the development of p4vasp has stopped, I suggest it would be very helpful to develop an alternative user interface based on py4vasp.
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### 路由地址
```routes
/acs/journal/:id
```
### 完整路由地址
```fullroutes
acs/journal/accacs
acs/journal/jacsat
```
### 相关文档
https://docs.rsshub.app/zh/routes/journal#american-chemistry…
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Particle probes correctly output particle ID - however, the particle ID values are modified after passing a probe. I have included a basic input deck at the bottom of this report which demonstrates th…
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Some context: https://votingworks.slack.com/archives/CEL6D3GAD/p1661200961493069
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For any questions relating to how/why/ ... Or anything you don't know where to ask.
For bug, suggestion or anything you want to ask separately, please open [seperate issue](https://github.com/arose/n…
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**Summary**
During the compilation process of KOKKOS, an error occurred, indicating that there was a problem with the code in the reaxff_forces_omp.cpp file.
**LAMMPS Version and Platform**
l…
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I am concerned that FUSE is over-predicting the fast He ion pressure, resulting in overly conservative FPP solutions (i.e. fusion power is too low relative to plasma beta). Nan Shi has re-analyzed our…
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### Implement the solver of the CPKS equation to obtain the response matrix
CPKS solver is obtained by adding the functional derivative of the exchange-correlation energy with respect to electron den…