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TonyWu20
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chemrust
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Feat: handle lattice boundaries when converting fractional coordinates to cartesian coordinates
#8
TonyWu20
opened
1 month ago
9
Bug: `double` output display does not look right
#7
TonyWu20
opened
2 months ago
5
conditional check
#6
TonyWu20
closed
2 months ago
0
range search
#5
TonyWu20
closed
8 months ago
0
Report the possible coordination numbers of the given element atom for a given lattice model
#4
TonyWu20
opened
8 months ago
0
The reported position of new atom could form shorter bonds with nearer atoms
#3
TonyWu20
closed
6 months ago
1
Report possible bondlength ranges for specified atoms to be bonded
#2
TonyWu20
opened
8 months ago
0
Optional selective fractions of atoms to represent the "surface layer"
#1
TonyWu20
closed
8 months ago
1