14 commits

Author	SHA1	Message	Date
Matthias Krack	3204c26a83	Sync pseudopotential database files with cp2k-data repository ... Replace Na-q9 pseudopotential with a revised version	2024-04-03 13:26:41 +02:00
Matthias Krack	71da3ea87c	Update POTENTIAL file with the changes in GTH_POTENTIALS	2023-06-26 16:05:19 +02:00
Tiziano Müller	3a74a975f6	data/ALL_POTENTIALS: fix missing 0 for number of local parts for Ca..I ... CP2K ignores the parsing error (I guess), other tools are not as forgiving	2021-03-23 10:39:12 +01:00
Matthias Krack	02bf815148	Sync GTH PP database file with cp2k-data project	2021-02-12 18:01:54 +01:00
Matthias Krack	552c70dd21	Add GTH-PP and MOLOPT basis set for U to database	2020-03-04 11:54:33 +01:00
Matthias Krack	524a538d1f	Sync with GTH PP database ... svn-origin-rev: 17492	2016-10-21 16:55:32 +00:00
Matthias Krack	e82388c9b0	Sync with the GTH potential database and recover default GTH PP selection ... svn-origin-rev: 17241	2016-08-12 16:17:03 +00:00
Matthias Krack	00f2238374	Patch Ce-q12 ... svn-origin-rev: 17233	2016-08-11 13:19:45 +00:00
Matthias Krack	13afb06c8e	Syncronize data files with the potential database (Lanthanides added) ... svn-origin-rev: 17231	2016-08-11 12:58:37 +00:00
Ole Schütt	0c26810f7e	rebuild data/POTENTIAL ... svn-origin-rev: 16976	2016-05-31 14:11:22 +00:00
Andreas Glöß	6ee958d887	Make test_formatting pass. ... svn-origin-rev: 15312	2015-05-12 08:18:07 +00:00
Ole Schütt	1b82eb0366	Assign default pseudo-potential for each element ... svn-origin-rev: 15226	2015-04-09 08:58:40 +00:00
Matthias Krack	4a80afc7b0	Update, clean-up, and merge potential database files ... svn-origin-rev: 14396	2014-10-07 15:54:11 +00:00
Ole Schütt	99a6473da5	Move simulation parameters into separate data directory ... svn-origin-rev: 14380	2014-10-02 15:18:16 +00:00

Renamed from tests/QS/POTENTIAL (Browse further)