Properties

Edoardo Aprà edited this page 2026-06-17 13:42:32 -07:00

Page revisions

70 Commits

Author	SHA1	Message	Date
Edoardo Aprà	2bbaca6667	Refactor electric field section in Properties.md ... Removed redundant code block for electric field methods and clarified descriptions.	2026-06-17 13:42:32 -07:00
edoapra	cdb51c164b	efg	2026-06-16 17:53:18 -07:00
Edoardo Aprà	d1fc3f53c4	Document Gaussian Cube Files generation ... Added Gaussian Cube Files section with details on generating electrostatic potential and electric field data.	2026-06-16 17:26:05 -07:00
Jochen Autschbach	f0f9433968	extended the documentation for orbital localization in the property ... module	2024-12-05 16:13:34 -05:00
edoapra	4d40809ebd	update	2023-03-18 21:11:22 -07:00
Edoardo Aprà	3d9adf81d2	NMR Update	2023-03-18 12:33:06 -07:00
edoapra	e9eff0d562	fix	2023-03-14 12:56:05 -07:00
edoapra	2a12c0192d	bib	2023-03-14 12:32:53 -07:00
edoapra	37817cad8a	formatting	2022-12-19 12:33:37 -08:00
edoapra	134f2dbe2b	ibo	2022-12-19 11:30:04 -08:00
edoapra	193b6c219b	ibo	2022-12-19 11:28:54 -08:00
edoapra	aac5600730	ibo	2022-12-19 11:22:30 -08:00
edoapra	46d57491d1	ibo	2022-12-19 11:19:34 -08:00
edoapra	39ca700192	ibo	2022-12-19 11:19:12 -08:00
edoapra	7b5a52049b	ibo	2022-12-19 11:18:46 -08:00
edoapra	4070c6c291	ibo	2022-12-19 11:14:58 -08:00
edoapra	3082fbc878	links issues from https://validator.w3.org/checklink	2022-12-09 16:10:21 -08:00
Edoardo Aprà	c95b2cc94c	janpa	2022-12-09 14:34:05 -08:00
edoapra	baa9bdb7c2	updates	2022-12-09 00:04:53 -08:00
Edoardo Aprà	8c7da15ca9	DOI fix	2022-09-12 16:45:59 -07:00
Edoardo Aprà	086bf25544	Update Properties.md ... added Raman paper	2022-09-12 16:45:01 -07:00
edoapra	717b5c006b	links	2022-02-13 12:16:32 -08:00
Edoardo Aprà	795cdf478c	sos	2022-02-03 10:34:27 -08:00
Edoardo Aprà	895d514c63	refs ... Former-commit-id: 78fd0125a691aa76b1470153a3bde64ae6c50891	2022-01-07 17:59:23 -08:00
Edoardo Aprà	84509475b5	dois ... Former-commit-id: 56a308630612f270893d6702e3b14cdc092c31f1	2022-01-07 17:57:18 -08:00
Edoardo Aprà	bfdc50f05c	refs ... Former-commit-id: 26e21f8deabce47329d3d1a38419cb039ba01fe5	2022-01-07 17:51:34 -08:00
Edoardo Aprà	02408973d3	refs ... Former-commit-id: d0f5e2e4001ff7defbadf150b7338624c4b94171	2022-01-07 17:50:21 -08:00
edoapra	b8eebc793e	aoresponse ... Former-commit-id: c0720a04162cc06579e15546a5c885f907b3ba17	2022-01-07 14:05:01 -08:00
edoapra	372846b5b2	dois ... Former-commit-id: d783a9eaeed4359af4dd3ac9e49baef197dc05c3	2022-01-07 12:44:49 -08:00
Edoardo Aprà	3adb49e9ba	links ... Former-commit-id: 51967bc165e239536f804f28504a2b54b32301c4	2022-01-07 11:51:38 -08:00
Edoardo Aprà	75b594de4b	updates ... Former-commit-id: 4bd9a543336d2b2905a826e55dd972fd32eb1e8e	2022-01-07 11:46:27 -08:00
edoapra	3878524d01	formatting ... Former-commit-id: 0d617870362bcacee9d56a93b40911219f3b9cd1	2022-01-06 20:34:08 -08:00
edoapra	3226f37492	formatting ... Former-commit-id: 583293de9cf42979afae364a7d397bd223a0854c	2022-01-06 19:02:27 -08:00
Edoardo Aprà	cfc101eab2	removed dead link ... Former-commit-id: eb3ac67b90b8f200f754f04566c6351c13357f84	2022-01-06 18:59:00 -08:00
Edoardo Aprà	80f16a785b	formatting ... Former-commit-id: b6e12c79e6b649b9740db93062af3052bd739923	2022-01-06 18:55:53 -08:00
Edoardo Aprà	b96ed53832	sos link to QMD example ... Former-commit-id: c8d751a027338a21e4a0ef5595a998152b485607	2022-01-06 18:49:49 -08:00
Edoardo Aprà	e7f6a75723	formatting ... Former-commit-id: d601056b1539bf875ab711a15a57314263eef1a5	2022-01-06 18:43:15 -08:00
Edoardo Aprà	cb3a443561	sos ... Former-commit-id: f9e76478ad6a5e6bea2b5f27ee1ec384890108d7	2022-01-06 18:36:01 -08:00
Edoardo Aprà	ff729a8174	formatting ... Former-commit-id: 8e2754aea26ebb5e19fdf65cbba5767459ec447d	2022-01-06 16:48:47 -08:00
Edoardo Aprà	b43c658b16	formatting ... Former-commit-id: 6aaf8314d85af8ddaa0d3b3022cca4ff81c112c4	2022-01-06 16:25:14 -08:00
Edoardo Aprà	9534e08e7b	formatting ... Former-commit-id: 9c9997e0da80948fc240e016ee66fd3497379a84	2022-01-06 16:22:02 -08:00
Edoardo Aprà	47e4fee4c2	formatting ... Former-commit-id: 505171f28222a2e7cc23233d839b42c0194438c3	2022-01-06 16:21:12 -08:00
Edoardo Aprà	9e1895c7ce	Formatting ... formatting Former-commit-id: 9498c35d75a66f0185af3754d93a07f4eaca7445	2022-01-06 16:19:45 -08:00
Edoardo Aprà	dc9d8479ec	formatting ... Former-commit-id: 0b23a6b6c1fe368f83ab9ab6c84aebae7d98005c	2021-10-21 11:15:47 -07:00
Edoardo Aprà	ced4a6312d	formatting ... Former-commit-id: 447f3c55af94fa8e143ae828cee17215185293be	2021-10-06 10:16:44 -07:00
Edoardo Aprà	bb9ebbd9d2	molden update ... Former-commit-id: 95220f06dba5bc2f2ec2731d879b1fe64ae06797	2021-09-22 11:33:10 -07:00
edoapra	5ee36c858e	links ... Former-commit-id: 7bcf87a06487d8ac1dab7e186d16cccecd89d5f5	2020-10-14 10:39:14 -07:00
edoapra	02ddbface9	formatting ... Former-commit-id: 1b303da719ad3fd32c5b91d379f0cf7299cfd8d4	2020-09-19 18:15:45 -07:00
Edoardo Apra	36e4bd1b59	cleanup	2020-06-03 23:47:05 -07:00
Edoardo Aprà	a95759409a	typo	2019-11-19 15:48:06 -08:00