Deleting bonds, angles dihedrals and arranging it to create new lammps data file
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May 25, 2020 - Python
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lammps-data
Here are 8 public repositories matching this topic...
Object-Oriented Script to aid in creating LAMMPS data files.
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Mar 8, 2019 - Python
Creating slabs from defined surface of any element and adding adsorbates by using Pymatgen. Output file is in the format for LAMMPS data file.
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Nov 16, 2022 - Python
Scripts for generating LAMMPS initial data files comprising polymer brush systems
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Feb 6, 2024 - Python
Convert files from the ATB repository to LAMMPS format
python
converter
simulation
input
molecule
lammps
atb
lammps-data
lammps-input
lammps-script
molecule-file
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Oct 22, 2024 - Python
Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of polymer brushes in equilibrium with solvent vapours.
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Feb 26, 2024 - Python
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
molecular-dynamics
open-science
coarse-grained-molecular-dynamics
lammps
amber
opls
force-fields
molecule-builder
molecule-editor
lammps-script-creator
lammps-data
lammps-tool
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Oct 26, 2024 - Python
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