zincware / ZnH5MD / 12136499336

95%

Build Type

push

github

Committed by web-flow

Commit Message

znh5md v0.4.0 (#151)

* serialisation draft

* move to `extend` function

* test for `s22_info_arrays_calc_missing_inbetween`

* bugfix missing in between

* add classmethod

* format, more tests, dtype fix

* rename file

* draft and test `concatenate_varying_shape_arrays`

* fix for 1D

* write the decompose method

* intermediate save

* fix and format

* progress

* add test

* fix tests

* format

* prepare for different test

* update some tests

* little more tests

* more tests

* a bit more testing

* final fix

* remove old version

* remove some code

* bump version

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* bugfix and other changes

* bugfix

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* fix OS/IndexError and shift

* save periodic/none

* bugfix

* fix pbc group stuff

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* update tests for velocities and potential_energy

* fix mda tests

* fix some tests, add demo notebook for backwards compatibility checks

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* do not allow duplicate keys in info/arrays

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* update demo

* linting and stuff

* refactor

* refactor

* lint

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* add compression/opts

* support chunk size

* [pre-commit.ci] auto fixes from pre-commit.com hooks

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* chunk 0 dim

* lint

* lock

* bugfix old data

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-c... (continued)

Run Details

961 of 1005 new or added lines in 24 files covered. (95.62%)

29 existing lines in 2 files now uncovered.

1959 of 2068 relevant lines covered (94.73%)

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