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Dear @sunqm
What are the prospects (if any) of using more symmetry than the Abelian D2h and C2v point groups for FCI on, say, linear molecules? If not for performance gains, then for distinguishin…
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_General Comment:_
- [x] matplotlib module needs to be added
**Modeling Systems of Nonlinear Equations**
- issues with pictures loading in colab
**Solving Systems of Nonlinear Equations with N…
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Hi @yoelcortes
Something that came up in a discussion between Jeremy and I is the dollar years used in each biorefinery TEA (e.g., we might say MESP is reported in 2016 dollars). Is this informati…
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Not sure if this would be difficult to implement internally, but one common thing I do with units is convert between various unitless representations (i.e. I want to convert a percent to ppm).
Sugg…
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In case anyone wants to take care of those:
| arXiv:1903.02799
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**Summary**
I'm trying to run LAMMPS using the GPU package (a simple lj/cut potential) on my Apple M1 Pro CPU/GPU which should be able to run OpenCL. When I run with
`/repos/lammps/src/lmp_mpi -pk…
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As part of the "treat VitalSource books as one document" project, we are changing the URL and selectors that the Hypothesis client captures. These changes are currently behind a feature flag. In order…
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**Describe the task**
We have some fields with duplicate values that need to be replaced with the new values.
These are:
1. Industry names in employer list. For example, we have `Education, Teach…
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My suggestion to this mod is a part where I've been involved IRL, polymerization of substances.
Examples:
R* (radical) + styrene -> polystyrene
![image](https://user-images.githubusercontent.com/53…
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A request to install the commercial package Comsol Multiphysics https://uk.comsol.com/comsol-multiphysics using the Chemical Engineering Department's license server.
We have details of the license …