CHANGELOG 1.36 KB
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# Changelog
All notable changes to this project will be documented in this file.

The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).

## [Unreleased]

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## [0.0.4] - 2020-05-19
### Added
- code for print data in json and pickle format

### Changed
- debug decomposition code

### Removed
- None

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## [0.0.3] - 2020-05-14
### Added
- code for assign coordinates to subdomain
- code for creating vectors for each tail of lipid in subdomain
- code for creating surface for heads of lipids in subdomain
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- code for calculating the angle between surface and vectors for every step, sudomain and resid
- clean main.py
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### Changed
- change output in def atomid_data() to include resid
- adjust function that use def atomid_data() output accordigly

### Removed
- None

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## [0.0.2] - 2020-05-11
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### Added
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- code for domain decomposition function
- code for identify desired atoms
- code for assigning desired atoms to subdomains
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### Changed
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- debug trr frames export
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### Removed
- None

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## [0.0.1] - 2020-04-27
### Added
- add gitignore
- read all or specific part of .trr files
- calculate surface from points
- calculate angle between two vectors(3D) or lines(2D)
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- plot points and surface
- read .gro for determine residue type and atom type 
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### Changed
- None

### Removed
- None