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TonyWu20 / chemrust

MIT License
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Feat: handle lattice boundaries when converting fractional coordinates to cartesian coordinates #8

Open TonyWu20 opened 2 months ago

TonyWu20 commented 2 months ago

image WSe2_ripple Fe 2.2

TonyWu20 commented 2 months ago

image WSe2_ripple Fe 2.2

TonyWu20 commented 2 months ago
image

WSe2_ripple Fe 2.2 correct case

TonyWu20 commented 2 months ago
image

WSe2_ripple Fe 2.2 correct case 2

TonyWu20 commented 2 months ago
image

WSe2_flat Fe 2.2 cn=3

TonyWu20 commented 2 months ago
image

WSe2_flat Fe 2.2 cn=3

TonyWu20 commented 2 months ago
image

In2Se3 Fe 2.2 cn=3

TonyWu20 commented 2 months ago

In2Se3 Fe 2.2

image image
TonyWu20 commented 2 months ago

NiFeLDH_tem1 Cu 2.2

image

cn=4

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cn=3