Solvation Models

Edoardo Aprà edited this page 2026-07-28 10:04:48 -07:00

Page revisions

23 Commits

Author	SHA1	Message	Date
Edoardo Aprà	79e91d58aa	Update solvation model parameters in documentation ... Corrected default value for do_gasphase and added new parameters for cavity, ndiv, and potcorr.	2026-07-28 10:04:48 -07:00
Edoardo Aprà	f19bf9e655	Update COSMO section with default 'ndiv' value ... Clarified default value for the 'ndiv' keyword in COSMO section.	2026-07-28 09:56:22 -07:00
edoapra	4d21ed6781	soares2025 ref	2026-01-13 10:11:10 -08:00
edoapra	046bf3951f	refs	2025-09-10 19:01:02 -07:00
edoapra	9536b2b953	gepol	2025-09-10 17:39:48 -07:00
edoapra	441ce1514b	gepol	2025-09-10 17:30:43 -07:00
Edoardo Aprà	6f4d4eb81e	Update Solvation-Models.md	2025-09-02 15:10:55 -07:00
Edoardo Aprà	2835faa394	Update Solvation-Models.md	2025-09-02 14:34:00 -07:00
Edoardo Aprà	5c1a059853	charge_correction	2025-08-19 17:58:41 -07:00
Edoardo Aprà	3f0d340701	Update Solvation-Models.md	2025-05-30 15:45:46 -07:00
Edoardo Aprà	dda208a15c	maxbem for KS	2025-05-14 17:40:27 -07:00
rpseng	576561e822	Add Screen parameter description and minor improvements.	2025-03-23 18:36:47 -03:00
Edoardo Aprà	53e529cbc8	ref	2025-03-10 10:04:20 -07:00
Edoardo Aprà	ce4d97812e	wording	2025-03-10 09:50:26 -07:00
Edoardo Aprà	dbcee212c5	rsolv https://github.com/nwchemgit/nwchem-wiki/issues/37	2025-03-10 09:00:41 -07:00
Edoardo Aprà	1dce92fe8d	smd keywords	2023-03-03 10:54:22 -08:00
Edoardo Aprà	779d1789ff	icds	2023-03-02 17:04:40 -08:00
edoapra	1c7bcba1e0	list	2023-03-01 19:19:50 -08:00
edoapra	e28bee7f71	links	2023-03-01 18:53:11 -08:00
edoapra	a0e7f51208	formatting	2023-03-01 18:31:25 -08:00
edoapra	b4c28a6328	formatting	2023-03-01 18:18:53 -08:00
edoapra	ea085edc09	updates	2023-03-01 18:07:08 -08:00
edoapra	bc88015ccf	merge cosmo & smd	2023-03-01 17:53:56 -08:00