uppittu11 analysis issues

uppittu11 / analysis

Analysis scripts for molecular dynamics simulations of stratum corneum lipid multilayers.

MIT License

0 stars 3 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Updated the README to include area per tilt

#57 chloeoframe closed 3 years ago
1
Add area per tail calculations to pipeline

#56 uppittu11 closed 3 years ago
1
Analyze each leaflet separately

#55 uppittu11 closed 4 years ago
5
Add test for the entrypoints for CG and atomistic systems.

#54 uppittu11 closed 4 years ago
1
Add json for uCER AS

#53 uppittu11 closed 4 years ago
1
Linear analysis added

#52 chrisiacovella closed 4 years ago
3
addition of ucer5.json

#51 chloeoframe closed 4 years ago
1
Switch to codecov bash uploader

#50 uppittu11 closed 4 years ago
1
User defined selection

#49 chrisiacovella closed 4 years ago
1
Calculate COMs

#48 uppittu11 closed 4 years ago
1
Separate calculated values by leaflet

#47 uppittu11 closed 4 years ago
0
Fix the index of the head beads for atomistic FFA molecules.

#46 uppittu11 closed 4 years ago
0
Fix the loading of Molecule types.

#45 uppittu11 closed 4 years ago
1
Test loading functions

#44 uppittu11 closed 4 years ago
1
Add CER EOS to molecules

#43 uppittu11 opened 4 years ago
0
Move tests directory outside of package.

#42 uppittu11 closed 4 years ago
1
Convert molecule to a class

#41 uppittu11 closed 4 years ago
1
Read molecules from disk

#40 uppittu11 closed 4 years ago
2
Make molecules a dictionary

#39 uppittu11 closed 4 years ago
0
Add installation instructions to README.md

#38 uppittu11 closed 4 years ago
1
Add command line scripts to setup.py (#35)

#37 uppittu11 closed 4 years ago
1
Create License

#36 uppittu11 closed 4 years ago
0
Add analyze.py and progress.sh to setup.py

#35 uppittu11 closed 4 years ago
0
Add pytest-azurepipelines package

#34 uppittu11 closed 4 years ago
1
Publish codecov results to AZP

#33 uppittu11 closed 4 years ago
1
Changes suggested by Black

#32 uppittu11 closed 4 years ago
1
Add windows jobs to azure pipelines

#31 uppittu11 closed 4 years ago
1
Update trigger to only master branch

#30 uppittu11 closed 4 years ago
0
Remove branch condition in azure pipeline yaml

#29 uppittu11 closed 4 years ago
1
Update README with more detailed description

#28 uppittu11 closed 4 years ago
0
Add codecov yaml

#27 uppittu11 closed 4 years ago
0
Add dummy test to test codecov in PR

#26 uppittu11 closed 4 years ago
0
Add build status and coverage badges to README

#25 uppittu11 closed 4 years ago
0
Add azure pipelines yamls for testing

#24 uppittu11 closed 4 years ago
0
Add tests for angle functions

#23 uppittu11 closed 4 years ago
0
Add BaseTest and restructure testing directory

#22 uppittu11 closed 4 years ago
0
Restructure file organization

#21 uppittu11 closed 4 years ago
0
Restructure testing directory

#20 uppittu11 closed 4 years ago
0
Remove and ignore egg-info

#19 uppittu11 closed 4 years ago
0
Vectorized distance calculation

#18 uppittu11 opened 4 years ago
1
Make analysis more modular

#17 uppittu11 opened 4 years ago
0
Add a hairpin/extended conformation fraction calculator

#16 uppittu11 opened 4 years ago
0
Add a simple density calculator

#15 uppittu11 opened 4 years ago
0
Add a electron and neutron scattering length density calculator tool

#14 uppittu11 opened 4 years ago
1
Add a standard plotting utility to create consistent plots in matplotlib

#13 uppittu11 opened 4 years ago
0
Add angle/bond/dihedral distribution calculator to package

#12 uppittu11 opened 4 years ago
0
Add RDF tools to the package

#11 uppittu11 opened 4 years ago
0
Add usage and features to the README

#10 uppittu11 closed 4 years ago
1
Remove egg info from package

#9 uppittu11 closed 4 years ago
1
Add block average tools in data module

#8 uppittu11 opened 4 years ago
0