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Unit-Converter Public
An HTML page of converting unit in molecular simulation. The original author is Jerkwin (Jicun Li).
HTML GNU General Public License v3.0 UpdatedJul 20, 2023 -
FI-generator Public
Forked from kjshao/finnFortran code for the generation of fundamental invariants (FI).
Fortran GNU General Public License v3.0 UpdatedMay 22, 2023 -
fanwenbin95.github.io Public
Forked from alshedivat/al-folioA beautiful, simple, clean, and responsive Jekyll theme for academics
JavaScript MIT License UpdatedMar 30, 2023 -
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Music-Notation-Terminology Public
A simple markdown about music notation terms in English and Chinese. Please contribute to this repo freely.
GNU General Public License v3.0 UpdatedFeb 17, 2023 -
中国合唱图书推荐
GNU General Public License v3.0 UpdatedFeb 11, 2023 -
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keledge-ePub Public
A Python selenium downloader for ePub on kelege
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Simple-CMD Public
A Python program for centroid molecular dynamics (CMD) of OH bond.
Python GNU General Public License v2.0 UpdatedOct 8, 2022 -
pyvibdmc Public
Forked from rjdirisio/pyvibdmcA general purpose library to study vibrational problems using diffusion monte carlo
Python MIT License UpdatedAug 2, 2022 -
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RPMDrate Public
Forked from GreenGroup/RPMDrateCompute dynamic properties of chemical systems using ring polymer molecular dynamics simulations
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ePCC2 Public
An improved general Python code for evaluating polarized crystal charge (PCC).
Python GNU General Public License v3.0 UpdatedMay 19, 2022 -
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ePCC Public
A general python code for evaluating polarized crystal charge (PCC).
Python Apache License 2.0 UpdatedJun 29, 2021 -
ExactTS Public
A Fortran program about optimizing the geometry of transition state.
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bonCar Public
A Fortran code of converting bond lengths to Cartersian coordinates.
Fortran UpdatedDec 3, 2020 -
QCAT Public
A Fortran program for quasi-classical adiabatic trajectory.
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PathPrep Public
Find the reaction path for umbrella integration.
Fortran MIT License UpdatedApr 27, 2020 -
DMC Public
Forked from m0baxter/DMCDiffusion Monte Carlo method
C++ MIT License UpdatedNov 2, 2018
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