ashenoy463 mdx issues - Githubissues

ashenoy463 / mdx

Parallelized and lazy processing for reactive molecular dynamics simulation data

GNU General Public License v3.0

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Ensure optimal rechunking after folding during trajectory parsing

#20 ashenoy463 opened 4 months ago
0
Expand thermo parsing to entire LAMMPS spec

#19 ashenoy463 opened 4 months ago
0
Expand bonds parsing to entire LAMMPS spec

#18 ashenoy463 opened 4 months ago
0
Extend trajectory parsing to entire LAMMPS spec

#17 ashenoy463 opened 4 months ago
0
Implement IO framework for existing frame output formats

#15 ashenoy463 opened 4 months ago
0
Create metadata model for experimental parameters

#14 ashenoy463 opened 4 months ago
0
Finalize a preliminary dataset format

#13 ashenoy463 closed 4 months ago
1
`dask.Client` is not handled in `mdxi.ingest`

#12 ashenoy463 closed 4 months ago
1
`mdx.ingest.Simulation` should hold data states

#11 ashenoy463 closed 4 months ago
1
Commit minimum viable version

#10 ashenoy463 closed 4 months ago
1
Consolidate dependencies and use prepared environment

#9 ashenoy463 closed 4 months ago
1
Adopting xarray as sole canonical format

#8 ashenoy463 opened 4 months ago
1
Metafiles should be validated

#7 ashenoy463 closed 4 months ago
2
Inclusion of boundary type as nCDF variable

#6 ashenoy463 opened 4 months ago
1
Script needed to manipulate simulation data

#5 ashenoy463 opened 4 months ago
0
Rework meta file format

#4 ashenoy463 opened 4 months ago
3
Special chunks are handled awkwardly

#3 ashenoy463 opened 4 months ago
0
Xarray doesn't support indexing sparse arrays

#2 ashenoy463 closed 4 months ago
1
Duplicate elements across chunks are not discarded

#1 ashenoy463 opened 4 months ago
1