目錄樹:
cc72a3d5d8
11.0
12.0
12.1
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13.0
13.1
13.37
14.0
14.1
14.2
15.0
bedlam
bedlam-name-fixes
dive
erik
gitignore
libressl-gopher-test
master
misc-fixes
python-renames
rworkman
urchlay
user/aclemons/updates
user/anddt/development/acpica
user/anddt/development/glm
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user/anddt/graphics/blender
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user/anddt/ham/chirp
user/anddt/ham/hamlib
user/anddt/libraries/girara
user/anddt/libraries/goffice
user/anddt/libraries/gtksourceview4
user/anddt/libraries/imlib2
user/anddt/libraries/jsoncpp
user/anddt/libraries/libnova
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user/anddt/libraries/libtorrent
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user/anddt/misc/discount
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user/anddt/network/sshguard
user/anddt/network/strongswan
user/anddt/network/umurmur
user/anddt/network/yt-dlp
user/anddt/network/znc
user/anddt/office/gnumeric
user/anddt/office/sigil
user/anddt/system/FontAwesome
user/anddt/system/conky
user/anddt/system/fakeroot
user/anddt/system/hplip-plugin
user/anddt/system/postgresql
user/anddt/system/testdisk
user/anddt/system/worker
user/anddt/system/xen
user/anddt/system/zzzfm
user/belka/updates
user/chris.willing/updates
user/dslackw/updates
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willysr
wxWidgets-wip
GPG-KEY
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Giancarlo Dessì
4754d8ddf2
academic/Gabedit: Added (Graphical UI to computational chemistry)
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2 年之前 | |
|---|---|---|
| .. | ||
| Gabedit.SlackBuild | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 年之前 |
| Gabedit.info | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 年之前 |
| README | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 年之前 |
| doinst.sh | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 年之前 |
| slack-desc | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 年之前 |
README
Gabedit is a graphical user interface to computational chemistry
packages like deMon2k, Gamess-US, Gaussian, Molcas, Molpro, MPQC,
MOPAC, Orca, PCGamess and Q-Chem.
It can display a variety of calculation results including support for
most major molecular file formats. The advanced "Molecule Builder"
allows to rapidly sketch in molecules and examine them in 3D. Graphics
can be exported to various formats, including animations.
packages like deMon2k, Gamess-US, Gaussian, Molcas, Molpro, MPQC,
MOPAC, Orca, PCGamess and Q-Chem.
It can display a variety of calculation results including support for
most major molecular file formats. The advanced "Molecule Builder"
allows to rapidly sketch in molecules and examine them in 3D. Graphics
can be exported to various formats, including animations.