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Title: cutoff_radius limit not necessary in structured (periodic) porous media? · Issue #202 · feos-org/feos · GitHub

Open Graph Title: cutoff_radius limit not necessary in structured (periodic) porous media? · Issue #202 · feos-org/feos

X Title: cutoff_radius limit not necessary in structured (periodic) porous media? · Issue #202 · feos-org/feos

Description: feos/feos-dft/src/adsorption/pore3d.rs Line 140 in 01d8238 if system_size.iter().any(|&s| s < 2.0 * cutoff_radius) { For periodic porous media, wouldn't we want to include the molecular interactions of the periodic images, since the poro...

Open Graph Description: feos/feos-dft/src/adsorption/pore3d.rs Line 140 in 01d8238 if system_size.iter().any(|&s| s < 2.0 * cutoff_radius) { For periodic porous media, wouldn't we want to include the molecular interaction...

X Description: feos/feos-dft/src/adsorption/pore3d.rs Line 140 in 01d8238 if system_size.iter().any(|&s| s < 2.0 * cutoff_radius) { For periodic porous media, wouldn't we want to include the molecular ...

Opengraph URL: https://github.com/feos-org/feos/issues/202

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Hey, it has json ld scripts: 
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og:image:altfeos/feos-dft/src/adsorption/pore3d.rs Line 140 in 01d8238 if system_size.iter().any(|&s| s < 2.0 * cutoff_radius) { For periodic porous media, wouldn't we want to include the molecular interaction...
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cutoff_radius limit not necessary in structured (periodic) porous media?https://github.com/feos-org/feos/issues/202#top
DFTDFT related feature or issuehttps://github.com/feos-org/feos/issues?q=state%3Aopen%20label%3A%22DFT%22
help wantedExtra attention is neededhttps://github.com/feos-org/feos/issues?q=state%3Aopen%20label%3A%22help%20wanted%22
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on Nov 24, 2023https://github.com/feos-org/feos/issues/202#issue-2009557881
feos/feos-dft/src/adsorption/pore3d.rshttps://github.com/feos-org/feos/blob/01d82386b4f34daf4a607fe8aaab637b6d7cce22/feos-dft/src/adsorption/pore3d.rs#L140
01d8238https://github.com/feos-org/feos/commit/01d82386b4f34daf4a607fe8aaab637b6d7cce22
DFTDFT related feature or issuehttps://github.com/feos-org/feos/issues?q=state%3Aopen%20label%3A%22DFT%22
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