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