Hard Rod Fluid Analytical Solution in .npy (For Operator learning)
Description
Hard rod fluid with diameter of 1.0 between 2 walls with distance L+2d=10.0,
under different chemical potential (mu) and external potential (V_ext(x)), with a sampling distance dz=0.1.
Data are stored as numpy structured ndarrays, each npy file store one type of data.
The ndarrays has the shape of (n_sample,n_grid), with 4 fields:
the position "z",
the density profile "rho",
the local chemical potential "muloc"
the one-body direct correlation function "c1".
Where muloc(z)=mu-V_ext(z)
In Operator Learning, I've tried the mapping of rho to c1 as well as muloc to rho.
dataload.py contains some functions used for loading data
data_model_train.py contains the read-in function for model-training data.
data_4groups.npy saves 8000 data, with 2000 in each group, generated from the following external potentials:
group 1: V_ext=0
group 2: V_binary[z] = -epsilon*((a/(z+a/2))^3+(a/(L+a/2-z))^3)
group 3: V_binary[z] = -mg*z
group 4: V_binary[z] = -u0*(abs(z/z0))^a0
with mu, epsilon, a, mg, u0, z0, a0 are adjustable constants of the potential
data_mixed23.npy saves 2000 data, generated from the following external potentials:
V_binary[z] = -epsilon*((a/(z+a/2))^3+(a/(L+a/2-z))^3) -mg*z
Folders are taped in .zip files.
Folder "~/R_data_generator" stores the generator of the data, analytical solution of 1D hard rod fluid.
Folder "~/Rdata" contains same data in .Rdata file, as R matrixs
Folder "~/R2py" contains the script to generate .npy file from .Rdata file
Files
data_instruction.txt
Files
(426.6 MB)
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