Releases: Jan8be/metadynminer.py
Releases · Jan8be/metadynminer.py
0.9.6
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Jan8be
released this
29 Jan 13:06
Changes since v0.9.2:
From now, when plotting the only CV from 1D HILLS files, the user no longer has to specify which CV to plot
Fixed: local minima search using precise=True now works also on 1D FES
start and end time selection should work properly on 1D FES
multiple other minor fixes
0.9.2
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Jan8be
released this
03 Dec 15:11
kcal/mol typo fixed
v0.8.0
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Jan8be
released this
17 Apr 06:59
Jupyterhub deployment by ljocha
New algorithm for localisation of free energy minimy was implemented
Full Changelog: v0.7.0...v0.8.0
v0.7.0
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Jan8be
released this
06 Mar 11:27
time units and DPI
v0.6.2
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Jan8be
released this
29 Jan 13:15
Full Changelog : v0.6.1...v0.6.2
v0.6.1
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Jan8be
released this
07 Dec 07:35
bug fixes
v0.6.0
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Jan8be
released this
05 Dec 14:15
add method to create animations of FES flooding
v0.5.0
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Jan8be
released this
04 Oct 09:36
added an option to draw legend in free energy profile graphs
v0.4.2
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Jan8be
released this
04 Oct 09:20
bug fix
v0.4.0
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Jan8be
released this
22 Sep 06:03
added the option to plot CV values