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add more side chain option, switch H cap with CH2 cap (#37)

Pull request merge
daico007pushed 1 commit to main • 81c9346…783baf3 • 
on Mar 11, 2024

add more side chain option, switch H cap with CH2 cap

daico007created more_schain_tgroup • 5bc5b14 • 
on Feb 15, 2024

Add more terminal groups (#36)

Pull request merge
daico007pushed 1 commit to main • 1d66074…81c9346 • 
on Oct 16, 2023

update gitignore

daico007pushed 1 commit to add_more_terminal_group • a712c22…a208098 • 
on Oct 14, 2023

change porting location for aniline

daico007pushed 1 commit to add_more_terminal_group • 571fc5d…a712c22 • 
on Oct 12, 2023

add aniline terminal group

daico007created add_more_terminal_group • 571fc5d • 
on Oct 11, 2023

Consolidate pNBDAC (#35)

Pull request merge
daico007pushed 1 commit to main • 8a6b539…1d66074 • 
on Sep 27, 2023

fix test for au lattice

daico007pushed 1 commit to consolidate_pnbdac • 35d7472…941780f • 
on Sep 27, 2023

udpate ci yml

daico007pushed 1 commit to consolidate_pnbdac • ae85b7d…35d7472 • 
on Sep 27, 2023

better handling of buffer_length=0

daico007pushed 1 commit to consolidate_pnbdac • d6999c3…ae85b7d • 
on Sep 27, 2023

add more surfaces unit tests

daico007pushed 1 commit to consolidate_pnbdac • e66e942…d6999c3 • 
on Sep 27, 2023

consolidate different pNBDAC to a single class

daico007created consolidate_pnbdac • e66e942 • 
on Sep 27, 2023

Fix a bug in Monolayer (#34)

Pull request merge
daico007pushed 1 commit to main • cbb04f9…8a6b539 • 
on Sep 22, 2023

add missing docstring

daico007pushed 1 commit to monolayer_bugfix • 41bdbe9…4e8600f • 
on Sep 22, 2023

fix a bug in monolayer

daico007created monolayer_bugfix • 41bdbe9 • 
on Sep 22, 2023

add ether nbdac (#33)

Pull request merge
daico007pushed 1 commit to main • 109a07d…cbb04f9 • 
on Sep 14, 2023

Deleted branch

daico007deleted update_python_version • 
on Sep 14, 2023

Deleted branch

daico007deleted update_syntax • 
on Sep 14, 2023

fix z orientation of nbdac polymer

daico007created crosslinked_polymer • 51bb7ee • 
on Sep 14, 2023

Deleted branch

daico007deleted crosslinked_polymer • 
on Sep 14, 2023

Deleted branch

daico007deleted update_nbdac • 
on Sep 14, 2023

Deleted branch

daico007deleted revert_silica_interface • 
on Sep 14, 2023

Deleted branch

daico007deleted add_utils • 
on Sep 14, 2023

Deleted branch

daico007deleted add_new_surfaces • 
on Sep 14, 2023

Deleted branch

daico007deleted ether_nbdac • 
on Sep 14, 2023

add ether nbdac

daico007created add_ether_nbdac • 17c8ead • 
on Sep 14, 2023

init ether_nbdac_polymer

daico007created ether_nbdac • e056138 • 
on Sep 14, 2023

Add new surfaces (#32)

Pull request merge
daico007pushed 1 commit to main • c0e9e63…109a07d • 
on Sep 14, 2023

update __init__

daico007pushed 1 commit to add_new_surfaces • c5a8fe1…750c0df • 
on Sep 14, 2023

fix up au lattice class, fix docstring

daico007pushed 1 commit to add_new_surfaces • d41f4ad…c5a8fe1 • 
on Sep 14, 2023