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Again with the table
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kmlefran committed Aug 19, 2024
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@@ -72,10 +72,10 @@ Table 1: Main workflows provided by `aiida-aimall`, their `aiida` entry points t

| Workflow | Entry Point | Purpose |
|---------------------------------|-----------------|-----------------------------------------------------------------------------------------------|
|`QMToAIMWorkchain` | aimall.qmtoaim | Run a general computational chemistry<br> software and link it to an AIMAll <br>calculation |
|`GenerateWFXToAIMWorkchain` | aimall.wfxtoaim | Take non-standard AIMAll input files,<br> and run AIMAll |
|`GaussianToAIMWorkChain` | aimall.g16toaim | Run a Gaussian calculation and automatically<br> run an AIMAll calculation on its outputs |
| `SubstituentParameterWorkChain` | aimall.subparam | Compute substituent properties defined by<br> the authors automatically|
|`QMToAIMWorkchain` | aimall.qmtoaim | Run a general computational<br><br> chemistry software andl<br><br> link it to an AIMAll <br>calculation |
|`GenerateWFXToAIMWorkchain` | aimall.wfxtoaim | Take non-standard AIMAlll<br><br> input files,l<br><br> and run AIMAll |
|`GaussianToAIMWorkChain` | aimall.g16toaim | Run a Gaussian calculationl<br><br> and automatically runl<br><br> an AIMAll calculation onl<br><br> its outputs |
| `SubstituentParameterWorkChain` | aimall.subparam | Compute substituentl<br><br> properties defined by<br><br> the authors automatically|

## Controllers to limit computer burden when running large numbers of jobs
The last main contribution of `aiida-aimall` is through the definition of `FromGroupSubmissionController`s from the `aiida-submission-controller` package. These controllers limit active processes and can be used together as

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