 Alexander Rose
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ad9160a4a3
guard against overly high surface resolution
|
vor 5 Jahren |
|
David Sehnal
|
fb0634a0f4
added semicolons to linting rules
|
vor 5 Jahren |
|
Alexander Rose
|
7bee2be12d
added traceOnly param to gaussian-surface
|
vor 5 Jahren |
|
Alexander Rose
|
4c91e730a2
various params tweaks
|
vor 5 Jahren |
|
Alexander Rose
|
adbe8e1f67
take parent structure into account for surface calculations
|
vor 5 Jahren |
|
David Sehnal
|
a080114690
added Structure property to StructureElement and Bond locations
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vor 5 Jahren |
|
Alexander Rose
|
27963b5aed
added option to ignore hydrogens in structure representations
|
vor 5 Jahren |
|
Alexander Rose
|
2c55165c84
use relative paths for module imports
|
vor 6 Jahren |
|
Alexander Rose
|
c05b67bdd7
allow more coarse resolution
|
vor 6 Jahren |
|
Alexander Rose
|
e29fa6c55d
gpu gaussian density tweaks
|
vor 6 Jahren |
|
Alexander Rose
|
e0c6ebd219
repr tweaks
|
vor 6 Jahren |
|
Alexander Rose
|
d7ba4d88f7
wip, gaussian unit surface texture-mesh
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vor 6 Jahren |
|
Alexander Rose
|
ebc1af8362
wip, computeStructureGaussianDensity
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vor 6 Jahren |
|
Alexander Rose
|
4c5eb4a93f
removed gaussian density ignoreCache param
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vor 6 Jahren |
|
Alexander Rose
|
bd1b07ad86
removed gaussian density calc from unit
|
vor 6 Jahren |
|
Alexander Rose
|
6b349b2232
moved representations into mol-repr
|
vor 6 Jahren |
