INitial commit of CAC code

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Alex Selimov 2024-02-17 21:51:18 -05:00
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# minimize
```sh
minimize ftol etol max_iter
```
## Inputs
`ftol` - force tolerance
`etol` - energy tolerance
`max_iter` - maximum number of iterations to calculate before exiting.
## Examples
```sh
minimize 10d-10 10d-10 10000
```
## Description
The minimize command is used to perform energy minimization on the CAC model.
The minimization method is chosen by the [min_style](./min_style.md) command.
Minimization is considered to be complete under the following conditions:
1. \( \frac{(E_i - E_{i-1})}{E_i} < etol \), where \( i \) is the current iteration.
2. No atom has a force component greater than `ftol`
3. The number of iterations is greater than `max_iter`