- Read lammps dump trajectory
-
github:
git clone https://github.com/eastsheng/ReadLammpsTraj cd ReadLammpsTraj pip install .
-
pip
pip install ReadLammpsTraj
import ReadLammpsTraj as RLT
md = RLT.ReadLammpsTraj(f)
# read header info from lammpstrj
md.__version__()
md.read_info()
# read mass x y z info from lammpstrj
position = md.read_mxyz(i)
# calculating mass density along z-axis from lammpstrj
md.oneframe_moldensity(position,Nz=100,id_range=[1,1000],mass_dict={1:15.9994,2:1.00797},id_type="atom",density_type="mass",direction="z")
x,y,z,rho= md.TwoD_Density(position,atomtype_n=[1,2],Nx=60,Ny=1,Nz=60,mass_or_number="mass",id_type="atom")-
1.2.0
- Many modifications
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1.1.9
-
Add
id_typearg forTwoD_Density()function. -
Modify the
read_header()function
