 Alexander Rose
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0c0e995256
lint: add no-multi-spaces rule
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%!s(int64=3) %!d(string=hai) anos |
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David Sehnal
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fb0634a0f4
added semicolons to linting rules
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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9c3e057410
fix water-water hbond detection and set to off by default
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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03228f7952
renamed CustomStructureProperty.getValue to .get
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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d0a861d39c
take aromatic rings into account for hydrogen bond calculation
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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1cee84d9af
fix formating
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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30e01c07f7
add interactions repr to surroundings behavior
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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3601955433
wip, interactions, various fixes
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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f8ff919787
wip, interactions, fix hydrogen bond distance test
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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2650f8d3dd
wip, renamed links to contacts for interactions
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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f172b6ceaa
wip, interactions
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
|
5813840e17
wip, interactions
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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e2d595394a
wip, interactions
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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0f33144935
wip, various nci fixes and tweaks
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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1fa64c836c
wip, charged interactions
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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af700c1481
wip, refactored interaction computation
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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7dcf16cd97
wip, interactions, halogen bonds
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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6fe58d7b73
wip, various interactions computation fixes
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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0f4d0ff986
wip, interactions, features in invariant space
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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2b73f9cafd
improved hbond param handling
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
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a86438a265
wip, interactions & hydrogen bonds
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%!s(int64=5) %!d(string=hai) anos |
|
Alexander Rose
|
8fd56dbc38
wip, interactions
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%!s(int64=5) %!d(string=hai) anos |
