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add more side chain option, switch H cap with CH2 cap (#37)
CI #15: Commit 783baf3 pushed by daico007
March 11, 2024 12:08 3m 30s main
March 11, 2024 12:08 3m 30s
More side chain options for PNBDAC
CI #14: Pull request #37 opened by daico007
March 11, 2024 11:55 5m 30s more_schain_tgroup
March 11, 2024 11:55 5m 30s
Add more terminal groups (#36)
CI #13: Commit 81c9346 pushed by daico007
October 16, 2023 16:45 6m 50s main
October 16, 2023 16:45 6m 50s
Add more terminal groups
CI #12: Pull request #36 synchronize by daico007
October 14, 2023 15:30 6m 56s add_more_terminal_group
October 14, 2023 15:30 6m 56s
Add more terminal groups
CI #11: Pull request #36 synchronize by daico007
October 12, 2023 04:09 5m 19s add_more_terminal_group
October 12, 2023 04:09 5m 19s
Add more terminal groups
CI #10: Pull request #36 opened by daico007
October 11, 2023 03:51 5m 14s add_more_terminal_group
October 11, 2023 03:51 5m 14s
Consolidate pNBDAC (#35)
CI #9: Commit 1d66074 pushed by daico007
September 27, 2023 18:58 8m 42s main
September 27, 2023 18:58 8m 42s
Consolidate pNBDAC
CI #8: Pull request #35 synchronize by daico007
September 27, 2023 18:05 8m 37s consolidate_pnbdac
September 27, 2023 18:05 8m 37s
Consolidate pNBDAC
CI #7: Pull request #35 synchronize by daico007
September 27, 2023 17:58 9m 59s consolidate_pnbdac
September 27, 2023 17:58 9m 59s
Add align option for pNBDAC
CI #6: Pull request #26 opened by daico007
June 13, 2023 18:23 8m 5s add_align_option
June 13, 2023 18:23 8m 5s
Add dimension for SilicaInterface class
CI #5: Pull request #25 synchronize by daico007
June 13, 2023 00:03 9m 54s generalize_silica_interface
June 13, 2023 00:03 9m 54s
Add amino ethyl side chain
CI #3: Pull request #24 opened by daico007
June 2, 2023 03:07 10m 32s add_amino_ethyl_side_chain
June 2, 2023 03:07 10m 32s
change default val of silicon surface
CI #2: Pull request #23 opened by daico007
May 26, 2023 01:57 10m 3s change_default_vals
May 26, 2023 01:57 10m 3s
udpate python version in CI
CI #1: Pull request #21 synchronize by daico007
May 25, 2023 05:11 9m 22s update_python_version
May 25, 2023 05:11 9m 22s
udpate python version in CI
Python Package using Conda #45: Pull request #21 opened by daico007
May 25, 2023 05:07 1m 3s update_python_version
May 25, 2023 05:07 1m 3s
Modify Setup
Python Package using Conda #44: Pull request #20 synchronize by daico007
May 25, 2023 04:52 9m 51s modify_setup
May 25, 2023 04:52 9m 51s
Modify Setup
Python Package using Conda #43: Pull request #20 opened by daico007
May 24, 2023 22:15 11m 16s modify_setup
May 24, 2023 22:15 11m 16s
Update syntax
Python Package using Conda #42: Pull request #19 opened by daico007
April 25, 2023 18:04 11m 36s update_syntax
April 25, 2023 18:04 11m 36s