p-j-smith lipyphilic issues

p-j-smith / lipyphilic

A Python toolkit for the analyis of lipid membrane simulations

https://lipyphilic.readthedocs.io/en/latest/

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issues

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[BUG] fails on import, "No module named 'lipyphilic._lipyferric'"

#145 recombinatrix opened 3 months ago
2
[QUESTION]Units of diffusion coefficient

#144 ErikPoppleton opened 8 months ago
0
No documentation on how to access the 2D surface returned by `MembThickness`

#143 p-j-smith opened 9 months ago
0
FIx RTD theme

#141 p-j-smith closed 11 months ago
0
Fix RTD docs build

#140 p-j-smith closed 11 months ago
1
Fix building docs on RTD

#139 p-j-smith closed 11 months ago
1
Release 0.11.0

#138 p-j-smith closed 11 months ago
1
use pypa/gh-action-pypi-publish instead of PyO3/maturin-action

#137 p-j-smith closed 11 months ago
1
download artifacts before uploading to PyPI

#136 p-j-smith closed 11 months ago
1
skip existing when uploading to Test PyPI only

#135 p-j-smith closed 11 months ago
1
Update CHANGELOG before release

#134 p-j-smith closed 12 months ago
1
Handle the case where x and y dimensions are different when binning lipid `xy` positions

#133 p-j-smith closed 12 months ago
1
`AssignLeaflets` fails when `xy` dimensions are not equal

#132 p-j-smith closed 12 months ago
2
Add 3.12 to version matrix for CI

#131 p-j-smith opened 1 year ago
1
Remove requirement `matplotlib < 3.8`

#130 p-j-smith closed 1 year ago
1
Rename MSD input parameter 'u' to 'universe'

#129 p-j-smith closed 1 year ago
1
Add deprecation warnings

#128 p-j-smith closed 1 year ago
1
Single source for package version

#127 p-j-smith closed 1 year ago
1
Put tests in directories that mirror organisation of the library

#126 p-j-smith closed 1 year ago
1
remove `triclinic_to_orthorhombic`

#125 p-j-smith closed 1 year ago
1
Deprecate `lipyphilic.transformations.nojump`

#124 p-j-smith closed 1 year ago
1
Use the MDA `Results` class for storing analysis results

#123 p-j-smith closed 1 year ago
1
Fix flip-flop analyses

#122 p-j-smith closed 1 year ago
1
Improve test for surface thickness calculation

#120 p-j-smith closed 1 year ago
1
Add attrs as a dependency

#119 p-j-smith closed 1 year ago
1
[BUG] CI failing due to missing dependencies

#118 p-j-smith closed 1 year ago
0
Assign 2D histogram diff to memb_thickness_grid

#116 gohdavid closed 1 year ago
4
[FEATURE] register lipyphilic as an MDAKit

#115 orbeckst opened 1 year ago
1
lipyphilic.lib import error

#114 neubergmi closed 1 year ago
2
[BUG]nojump fails with concatenated trajectories

#113 lianxiliang closed 1 year ago
1
Restructure into more sensible sub-packages

#112 p-j-smith closed 1 year ago
1
Add warning to README about upcoming breaking changes

#111 p-j-smith closed 1 year ago
1
Use ruff, black, and isort; remove flake 8

#110 p-j-smith closed 1 year ago
1
Use pyproject.toml for project configuration

#109 p-j-smith closed 1 year ago
1
Update supported Python versions

#108 p-j-smith closed 1 year ago
0
Use ruff for linting

#107 p-j-smith closed 1 year ago
0
[DOCS] For each analysis tool, list which (if any) transformations need to be applied to use it

#106 p-j-smith opened 1 year ago
0
'nojump' raises an exception when used with triclinic systems

#105 p-j-smith closed 1 year ago
1
Automate build and release

#104 p-j-smith closed 1 year ago
0
Update tox version

#103 p-j-smith closed 1 year ago
0
Move to pyproject.toml

#102 p-j-smith closed 1 year ago
0
[BUG] Index error from AssignLeaflets with the AMBER force field

#101 pablo-arantes opened 1 year ago
3
[BUG] Unexpected uniform thickness calculated by MembThickness

#100 dnusha1994 closed 1 year ago
3
[QUESTION] error aboubt "Calculate 2D PMFs from joint probability distributions"

#99 yang-guoli closed 1 year ago
1
[BUG] Flip flop algorithm finds events that start midway through another event

#97 p-j-smith closed 1 year ago
0
[BUG] Flip flop algorithm finds events that do not exist

#96 p-j-smith closed 1 year ago
1
Use attrs and type hints for the MSD analysis class

#95 p-j-smith closed 2 years ago
1
Update README.rst

#93 p-j-smith closed 2 years ago
1
Update CHANGELOG.rst

#92 p-j-smith closed 2 years ago
0
Release 0.10

#91 p-j-smith closed 2 years ago
1