robrobo d97863e356 added fake _xdr attributes in case the trajectory was constructed by other means than reading a gromacs xtc file

2026-04-11 17:22:39 +02:00

..

extra

Added Robins adjustments for FEL

2024-05-27 14:27:09 +02:00

__init__.py

renamed logging to loggin_util to avoid circular import with python logging in some cases; added two raw strings to docstrings and fixed a sphinx syntax in one

2025-06-16 21:00:42 +02:00

atoms.py

Moved functions around to circumvent a circular import

2023-12-26 16:06:38 +01:00

autosave.py

decorator for autosave_data now consumes and autosave_dir_overwrite. this can enable autosave by itself and takes precedence over the enable(dir) value. provided the same way as the description

2025-08-09 18:43:50 +02:00

checksum.py

extended the has checksum case for edge cases that caused problems

2026-04-11 17:21:57 +02:00

coordinates.py

remove print

2025-08-14 16:43:56 +02:00

correlation.py

stop reading many frames to get times for shifted_correlation

2025-09-05 14:47:53 +02:00

distribution.py

using pbc_diff now in tetrahedral_order parameter calculation, since reference positions will not be periodic images in the default use case

2025-07-11 20:59:30 +02:00

functions.py

Added type hints

2023-12-28 12:13:53 +01:00

logging_util.py

renamed logging to loggin_util to avoid circular import with python logging in some cases; added two raw strings to docstrings and fixed a sphinx syntax in one

2025-06-16 21:00:42 +02:00

pbc.py

Merge branch 'fix/nojump_and_npt_caching' into feature/compatibility_robin

2025-08-14 16:35:12 +02:00

reader.py

added fake _xdr attributes in case the trajectory was constructed by other means than reading a gromacs xtc file

2026-04-11 17:22:39 +02:00

system.py

Applied black formatter

2023-12-05 16:44:26 +01:00

utils.py

norm in quick fit

2025-10-16 17:44:30 +02:00