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Cog remove history #56

Merged
merged 38 commits into from
Jan 11, 2024
Merged

Cog remove history #56

merged 38 commits into from
Jan 11, 2024

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arm61
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@arm61 arm61 commented Jan 9, 2024

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jd15489 and others added 30 commits November 16, 2023 14:16
@jd15489
Created DL_POLY simulation
2c73810 
Former-commit-id: a14d349
@jd15489
Update mda_COG.ipynb
41e53ff 
Former-commit-id: 3f201c5
@jd15489
Update mda_COG.ipynb
9caf285 
Former-commit-id: be693d9
@jd15489
Update mda_COG.ipynb
c853313 
Former-commit-id: c505e71
@jd15489
Swapped to drift_indices
f92124b 
Framework_indices changed to drift_indices, allowing framework_indices to be used as a keyword in parsers.


Former-commit-id: bc04968
@jd15489
Remove center keyword
1646ffa 
Former-commit-id: 376f324
@jd15489
Update mda_COG.ipynb
b55e461 
Former-commit-id: 4dd7105
@jd15489
Removed center keyword from tests
d6fe153 
Former-commit-id: efd7239
@jd15489
Added framework_indices keyword
f595da5 
By using the framework_indices keyword the framework can be defined explicitly.


Former-commit-id: d8ffa1d
@jd15489
Merge branch 'COG' of https://github.com/jd15489/kinisi_indices into COG
47b1a82 
Former-commit-id: d7ae687
@jd15489
Added test for no drift correction
1f5f711 
Former-commit-id: fac7926
@jd15489
Merge branch 'COG' of https://github.com/jd15489/kinisi_indices into COG
899a201 
Former-commit-id: 5709d80
@jd15489
Revert "Merge branch 'COG' of https://github.com/jd15489/kinisi_indices…
fea84e8 
… into COG"

This reverts commit 899a201 [formerly 5709d80], reversing
changes made to 1f5f711 [formerly fac7926].


Former-commit-id: c409d7d
@jd15489
Fixed reverted commit
c6bdfc6 
Former-commit-id: 2ef00e9
@jd15489
Update test_parser.py
2d95880 
Former-commit-id: 6840272
@jd15489
Update mda_COG.ipynb
8f24836 
Former-commit-id: 4398a1a
@jd15489
Extended framework_indices to all parsers
ab48715 
Former-commit-id: 685aa4c
@jd15489
Update parser.py
7a9c00d 
Former-commit-id: 61ab00a
@jd15489
Merge branch 'bjmorgan:master' into COG
80bf305 
Former-commit-id: 0344773
@jd15489
yapf
fd50b34 
Former-commit-id: f96717a
@jd15489
Merge branch 'bjmorgan:master' into COG
745464b 
Former-commit-id: b0c9f52
@jd15489
Added progress bar to get_disp
da5c88e 
Former-commit-id: 6d1c3da
@jd15489
Merge branch 'bjmorgan:master' into COG
11124ef 
Former-commit-id: d9def48
@jd15489
Merge branch 'bjmorgan:master' into COG
bbe76ae 
Former-commit-id: 382b4c7
@jd15489
Update mda_COG.ipynb
15c1e3c 
Former-commit-id: 192a778
@jd15489
Merge branch 'master' into COG
45d589f 
Former-commit-id: 904f40b
@jd15489
Update docstrings
742acdf 
Former-commit-id: 1a4490a
@jd15489
Update notebooks.md
46380ab 
Former-commit-id: f03fa16
@jd15489
Added new tests for ASE and Pymatgen
09dded1 
Former-commit-id: c984d78
@jd15489
yapf
f46acd3 
Former-commit-id: 5c33af0
jd15489 and others added 8 commits January 7, 2024 21:55
@jd15489
fixed get_indices
ed3a77f 
Former-commit-id: 20f892d
@jd15489
removed duplicate get_molecules functions
97b1f44 
Former-commit-id: d47e764
@jd15489
removed duplicate get_framework functions
cef9d4e 
Former-commit-id: 9594740
@jd15489
yapf
5de5b06 
Former-commit-id: 9cf450c
@jd15489
Tweek docstrings
ab3cd4f 
Former-commit-id: fe08412
@arm61
Merge pull request #47 from jd15489/COG
3b99e77 
Adds centre of geometry and centre of mass functionality

Former-commit-id: 2a2cfba
@jd15489
Compressed dlpoly input
048d09f 
Former-commit-id: 5a6d81c
@jd15489
Merge branch 'bjmorgan:master' into COG
a69c35f 
Former-commit-id: 13d66c9
@arm61 arm61 merged commit c45f0f4 into bjmorgan:master Jan 11, 2024
@jd15489 jd15489 deleted the COG_remove_history branch January 13, 2024 13:03
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@arm61 @jd15489