Lines Matching defs:cclib

58 .. _`open source`: https://en.wikipedia.org/wiki/Open_source
59 .. _Python: https://www.python.org
60 …SD_License_2.0%22,_%22Revised_BSD_License%22,_%22New_BSD_License%22,_or_%22Modified_BSD_License%22)
62 .. _changelog: changelog.html
63 .. _`extracted data`: data.html
64 .. _`calculation methods`: methods.html
65 .. _`installation page`: installation.html
66 .. _`How to install`: how_to_install.html
67 .. _development: development.html
69 .. _ADF: https://www.scm.com/product/adf/
70 .. _DALTON: https://daltonprogram.org/
71 .. _Firefly: http://classic.chem.msu.su/gran/gamess/
72 .. _`GAMESS (US)`: https://www.msg.chem.iastate.edu/gamess/
73 .. _`GAMESS-UK`: https://web.archive.org/web/20190613042645/http://www.cfs.dl.ac.uk/
74 .. _`Gaussian`: https://gaussian.com/
75 .. _Jaguar: https://www.schrodinger.com/products/jaguar
76 .. _Molcas: https://gitlab.com/Molcas/OpenMolcas
77 .. _Molpro: https://www.molpro.net/
78 .. _MOPAC: http://openmopac.net/
79 .. _NWChem: https://nwchemgit.github.io/
80 .. _ORCA: https://orcaforum.kofo.mpg.de/app.php/portal
81 .. _Psi4: https://psicode.org/
82 .. _`Q-Chem`: https://q-chem.com/
83 .. _Turbomole: http://www.turbomole-gmbh.com/
85 …e package for cclib 1.7.1`: https://github.com/cclib/cclib/releases/download/v1.7.1/cclib-1.7.1.zip
86 .. _`current development version`: https://github.com/cclib/cclib/archive/master.zip
87 .. _`GitHub repository`: https://github.com/cclib/cclib
88 .. _`mailing list`: https://sourceforge.net/projects/cclib/lists/cclib-users
89 .. _`developers mailing list`: https://sourceforge.net/projects/cclib/lists/cclib-devel
90 .. _`tracker`: https://github.com/cclib/cclib/issues
92 .. _GaussSum: http://gausssum.sourceforge.net/
93 .. _QMForge: https://qmforge.net/
94 .. _literature: https://doi.org/10.1021/jacs.5b05600
95 .. _DOI: https://doi.org/10.1002/jcc.20823
96 .. _Zenodo: https://zenodo.org/record/1407790