semvec/pypi-packages huggingface dataset:
mapp4py 0.0.5.2
MIT Atomistic Parallel Package

MAPP is a parallel atomistic simulation package written entirely in C++, it is presented in form of a [python](http://www.python.org) package in order to facilitate usage. Some of the main features of MAPP are:

  * Molecular Dynamics (MD)
  * Diffusive Molecular Dynamics ([DMD](https://doi.org/10.1103/PhysRevB.84.054103)) canonical ensemble
  * DMD isothermoal-isostress ensemble
  * Sophisticated energy minimization (CG and l-BFGS) and line search (brent, golden section and back track) algorithms
  * Parallel Grand Canonical Monte Carlo (pGCMC) for pair and many body potentials such as EAM
  
  For documentation and usage please visit http://www.mit.edu/~sinam/mapp
pcwvalidator 0.0.1
price comparison batch file validator

#### PCW Validator

- This small program can be used to validate a batch csv file sent by price comparison websites against a series of operators. 

- Base Operators are defined and then combined together to form operators which are executed on a specified column in the CSV file.

##### *Usage*

```
pip install pcwvalidator
```

```
from pcwvalidator.validate import execute

execute('/full/path/to/csvfile')
```

- This will return return True if that CSV is valid 

*Command line Usage*

```
export PYTHONPATH=$(pwd)
```
Then in the command line:
```
python run.py -f { csv_file }
```

- Use full paths for each element, i.e:
```
/PATH/bin/python /full/path/src/run.py -f /full/path/src/{ csv_file }
```



###### Author 
- Alexander Isherwood