Create README.md

README.md

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+# logReader
+
+A log reader to read LAMMPS log files. Using C++ as backend and Python as interface. Automatically parsing LAMMPS log files and translate `thermo` outputs into Python attributes.
+
+##  Example
+
+Here’s a short example of how to using `logReader`:
+
+```python
+>>> from logReader import logReader
+>>> t=logReader("T15_06_08_P50.log")
+>>> t.describe()
+thermo data attributes are:
+Step        Temp        E_pair      E_mol       TotEng      Press       Volume      
+0           1.49996     13.5451     0           15.7949     67.1466     23405.7     
+4e+06       1.51405     3.19639     0           5.46733     50.3107     19692.7     
+
+thermo data attributes are:
+Step        Temp        PotEng      KinEng      TotEng      Enthalpy    Volume      Press       
+0           1.51405     3.19639     2.27093     5.46733     65.9382     19692.7     50.3107     
+1000        1.49421     3.06943     2.24118     5.31061     65.1286     19719.8     49.6992     
+2000        1.51361     3.15507     2.27028     5.42535     65.6919     19702.3     50.1164     
+3000        1.48297     3.13433     2.22432     5.35865     65.4995     19703.3     50.0093     
+4000        1.50583     3.1298      2.2586      5.3884      65.5081     19705.1     49.9872     
+...         ...         ...         ...         ...         ...         ...         ...         
+3.996e+06   0.6044      2.77837     0.906545    3.68491     62.7584     19340.4     50.0436     
+3.997e+06   0.592388    2.75465     0.888528    3.64318     62.562      19348.7     49.891      
+3.998e+06   0.600167    2.80198     0.900195    3.70217     62.904      19336       50.1635     
+3.999e+06   0.59712     2.73543     0.895625    3.63106     62.4631     19354.8     49.8018     
+4e+06       0.59765     2.8091      0.89642     3.70552     62.9421     19333.8     50.1988   
+>>> dir(t[1])
+['Enthalpy', 'KinEng', 'PotEng', 'Press', 'Step', 'Temp', 'TotEng', 'Volume', '__class__', '__delattr__', '__dict__', '__dir__', '__doc__', '__eq__', '__format__', '__ge__', '__getattribute__', '__gt__', '__hash__', '__init__', '__init_subclass__', '__le__', '__lt__', '__module__', '__ne__', '__new__', '__reduce__', '__reduce_ex__', '__repr__', '__setattr__', '__sizeof__', '__str__', '__subclasshook__', '__weakref__', 'attr', 'data', 'keys', 'legalKey']
+>>> print(t[1].Press[:10])
+[50.310728, 49.699177, 50.11637, 50.009271, 49.987162, 49.998432, 49.899897, 50.119902, 49.863181, 50.150043]
+```
+
+each column will be stored as Python attributes for easily accessing.
+
+## Installation
+
+Only Windows binary is provided in release. For Linux and MacOS, build from source using:
+
+```bash
+git clone git@github.com:KyQiao/logReader.git
+cd logReader
+git submodule update --init
+python setpy.py bdist_wheel
+cd dist && pip install xxx.whl
+```