Quick start

Installation

PyPi install
```
pip install readlammpsdata
```

Github install

git clone git@github.com:eastsheng/readlammpsdata.git
cd readlammpsdata
pip install .

Tests

print version

import readlammpsdata as rlt
print(print_version())

"""
--------------------------------------------------
@readlammpsdata-1.0.9
>>> A script for reading and modifying LAMMPS data!
--------------------------------------------------
"""

read data

Atoms = read_data(lmp="PVP.lmp", data_sub_str = "Atoms")
print(Atoms)

"""
>>> Read data Atoms successfully !

     1      1      1 -0.35160000    1.000  1.00000  0.00000
     2      1      2 0.13720000   -0.337  1.00000  0.00000
     3      1      3 -0.79220000   -1.134  1.00000  1.11526
	...
    13      1     13 0.10870000    0.222  0.44931  2.64132
    14      1     14 0.11370000   -1.868  0.86334  4.30672
    15      1     15 0.11370000   -1.804 -0.58670  3.28942
    16      1     16 0.14040000   -3.408  1.94658  2.77089
    17      1     17 0.14040000   -3.873  0.22675  2.53818
"""

Masses = read_data(lmp="PVP.lmp", data_sub_str = "Masses")
PairCoeffs = read_data(lmp="PVP.lmp", data_sub_str = "Pair Coeffs")
Bonds = read_data(lmp="PVP.lmp", data_sub_str = "Bonds")