Framework separation - Githubissues

SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials

GNU General Public License v3.0

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Framework separation #137

Closed ahyork closed 4 years ago

ahyork commented 4 years ago

framework_partition allows the user to create partitions of frameworks
subtract_atoms allows the user to remove a set of atoms from a framework
updated framework addition to correctly add the bonds

SimonEnsemble commented 4 years ago

@ahyork there is a conflict with the crystal_test.jl from your last PR? I'm not sure what happened; in the last PR it looked like the entire file was changed owing to e.g. tabs/spacing?

ahyork commented 4 years ago

The last PR had issues because I used dos2unix to remove some annoying windows line endings and it modified the entire file. I can download the old one and do a vim -D with the two files to show the differences

ahyork commented 4 years ago

after_resolve before_resolve

ahyork commented 4 years ago

This is the output from vim -d when I opened the conflicted files side by side. The file on the left is the master branch and the file on the right is the new branch.