chemfiles Chemfiles.jl issues

chemfiles / Chemfiles.jl

Julia bindings to chemfiles

http://chemfiles.org/Chemfiles.jl/

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issues

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Add AtomsBase conversion support

#76 mfherbst closed 1 year ago
5
Update to chemfiles 0.10.4

#75 Luthaf closed 1 year ago
0
TPR support

#74 raulloiscuns closed 7 months ago
2
Create TagBot.jl

#73 CarloLucibello closed 1 year ago
1
In Chemfiles.jl output trajectory file has a compact format and thus loses precision

#72 Zeki-Zhang opened 1 year ago
1
make unitcell matrix column major

#71 lmiq opened 1 year ago
4
Update version of github actions

#70 Luthaf closed 1 year ago
0
unit cell angles not being correctly read from NAMD/CHARMM DCD file

#69 lmiq closed 1 year ago
4
Create TagBot.yml

#68 CarloLucibello closed 1 year ago
4
Create CompatHelper.yml

#67 CarloLucibello closed 1 year ago
3
remove BinaryProvider

#66 CarloLucibello closed 1 year ago
7
AtomsBase interface support

#65 KaiLiersch opened 1 year ago
4
minor point in the example in README: `positions = positions(frame)`

#64 physicshinzui closed 2 years ago
1
Update to chemfiles 0.10.3

#63 Luthaf closed 2 years ago
0
Remove Compat dependency and up DocStringExtensions bound

#62 Liozou closed 2 years ago
3
`residue_for_atom` should give a `view` instead instead of a `copy`

#60 egolep opened 2 years ago
2
Fixed typos in generate.jl

#59 Ruibin-Liu closed 2 years ago
1
The pos array should index from 1

#58 Ruibin-Liu closed 2 years ago
1
'Chemfiles' instead of 'chemfiles'

#57 Ruibin-Liu closed 2 years ago
1
Chemfiles tests fail on M1 mac

#56 physicshinzui closed 2 years ago
8
Fix documentation generation for Julia 1.6

#55 Luthaf closed 2 years ago
0
Update to chemfiles 0.10.2

#54 Luthaf closed 2 years ago
0
Indexing support for `Frame`, `Topology`

#53 rashidrafeek closed 2 years ago
2
Make `Frame` indexable

#52 rashidrafeek closed 2 years ago
1
Unable to obtain properties from LAMMPS dump file

#51 rashidrafeek closed 2 years ago
2
Update to chemfiles 0.10.1

#50 Luthaf closed 3 years ago
0
Build & deploy documentation from github actions

#49 Luthaf closed 3 years ago
0
Update to v0.10

#48 Luthaf closed 3 years ago
0
test: UndefVarError: contains not defined

#47 aquarelleX332 closed 3 years ago
4
Move CI to github actions

#46 Luthaf closed 3 years ago
0
added read! and read_step! functions to read into existing Frame

#45 lmiq closed 4 years ago
5
one-based indexing

#43 lmiq closed 4 years ago
2
Get cell dimensions from trajectory (when available)

#41 lmiq closed 4 years ago
5
Keep a reference to the Frame when returning position/velocities view

#40 Luthaf closed 4 years ago
2
Use Documenter.jl instead of sphinx for docs

#39 Luthaf closed 4 years ago
2
fix: check used function is a substring of other function name

#38 ezavod closed 4 years ago
1
Non-deterministic segmentation faults when reading LAMMPS dump files using Julia bindings

#37 amlimaye closed 4 years ago
12
Fix for Julia 1.5

#36 Luthaf closed 4 years ago
0
fix tests on Julia 1.5

#35 KristofferC closed 4 years ago
2
Appveyor is broken

#34 Luthaf closed 4 years ago
1
Register v0.9.3

#33 Luthaf closed 4 years ago
3
Update to chemfiles v0.9.3

#32 Luthaf closed 4 years ago
0
Add open(f, args...) for Trajectories

#31 Vexatos closed 4 years ago
1
Use the new Artifact system on julia 1.3 for libchemfiles

#30 Luthaf closed 4 years ago
1
Will you continue to be update to newer julia?

#29 Chenghao-Wu closed 4 years ago
2
Update to v0.9.0

#28 Luthaf closed 5 years ago
0
Fix typos in the docstring.

#27 sunoru closed 5 years ago
1
Add examples to all public functions

#26 Luthaf opened 5 years ago
0
Fix documentation generation

#25 Luthaf closed 5 years ago
0
Support for Julia 0.7 and 1.0

#24 frodofine closed 5 years ago
2