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[ 原始碼： python-dynasor ]
套件：python3-dynasor（2.1-2）
python3-dynasor 的相關連結
Debian 的資源：
下載原始碼套件 python-dynasor：
維護小組：
外部的資源：
- 主頁 [dynasor.materialsmodeling.org]
相似套件：
Molecular dynamics trajectory analysis
dynasor is a tool for calculating total and partial dynamic structure factors as well as related correlation functions from molecular dynamics (MD) simulations. Analysis of these functions enables one to access the dynamics of a system without resorting to perturbative approaches. By combining in particular the structure factor with the cross sections (or form factors) of, e.g., neutrons, X-rays or electrons, it is also possible to directly predict experimental spectra.
Specifically dynasor can be used to calculate the following quantities:
* Partial and total dynamic structure factors, including the incoherent (or self) part * Partial and total static structure factors * Partial and total intermediate scattering functions * Longitudinal and transverse, partial and total, current correlations * Spectral energy densities
其他與 python3-dynasor 有關的套件
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
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- dep: python3-ase
- Atomic Simulation Environment (Python 3)
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- dep: python3-mdanalysis
- analyse molecular dynamics files and trajectories
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- dep: python3-numba
- native machine code compiler for Python 3
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- dep: python3-numpy
- Python library for numerical computations (Python 3)
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- dep: python3-pandas
- data structures for "relational" or "labeled" data