Talk:MOPAC

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MOPAC (file format) needed

A new page MOPAC (file format) is needed, which should cross link to Chemical file format and use also the proper [[Category:Chemical file format]] category. JKW 16:02, 8 April 2006 (UTC)[reply]

why? Karol 21:52, 8 April 2006 (UTC)[reply]

There is plenty of room in the MOPAC article and that is where file format information should go. --Bduke 02:30, 9 April 2006 (UTC)[reply]

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I'll refrain from editing the main body of the MOPAC entry for COI reasons, but I'd like to point out some factually incorrect statements, some poorly worded statements, and a few suggested references:

"MOPAC2016 is the current version." is no longer correct, and a more correct statement would be "MOPAC2016 was the last commercial release of MOPAC."

"Academic users can use this program for free, whereas government and commercial users must purchase the software." is no longer an accurate reflection on the current state of MOPAC as it is now released under a permissive, open-source license.

"Later versions were no longer public domain software " is more accurately "Versions of MOPAC released after 1993 and before 2022 were not public domain or open-source software".

"In 2022 MOPAC2016 was released as openMopac[8] and opened sourced under the LGPL license." is more accurately stated as "In 2022, MOPAC's commercial development transitioned into an open-source software project hosted on GitHub[8], with a name change from MOPAC2016 back to MOPAC and a switch to semantic versioning.", with the license information now contained in the software infobox.

"It is designed to implement semi-empirical quantum chemistry algorithms, and it runs on Windows, Mac, and Linux." would be better stated as "It is designed to implement semi-empirical quantum chemistry models.", with the OS information now contained in the software infobox.

For a piece of scientific software, it is a bit odd that the Wikipedia page contains no scientific references. I would recommend adding the primary historical reference to the software near the top of the page, which is at [1].

Finally, MOPAC is referred to as "popular" at the top of the page, and there is an ongoing effort to measure the popularity of computational chemistry software by scientific citation rates at [2], which provides some objective quantification for the claim of "popular" and helps to put various computational chemistry programs in a context of relative popularity.

Godotalgorithm (talk) 16:56, 5 February 2024 (UTC)[reply]