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cp2k/data/xc_section
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Frederick Stein ab3d7a32b3
Add wb97x2 (Anna Hehn) (#2030) 
* Add xc sections of the wB97X-2 functional (Anna Hehn)

* Adjust thresholds
2022-03-28 16:23:52 +02:00
..
HF-3c.sec gCP potentials and Short range bond correction for vdW D3 method (general formula) (#417) 2019-06-17 17:07:29 +02:00
PBE.sec Include of XC-section from data/xc_section possible 2017-11-28 14:13:28 +00:00
vdW-DF-cx.sec LibXC: Add section for every functional 2021-03-05 15:56:24 +01:00
vdW-DF-cx0p.sec LibXC: Add section for every functional 2021-03-05 15:56:24 +01:00
vdW-DF-optB88.sec LibXC: Add section for every functional 2021-03-05 15:56:24 +01:00
vdW-DF-optPBE.sec LibXC: Add section for every functional 2021-03-05 15:56:24 +01:00
vdW-DF1-C09.sec LibXC: Add section for every functional 2021-03-05 15:56:24 +01:00
vdW-DF1.sec Fix unit conversion for non-local vdW cutoff 2019-11-19 13:15:57 +01:00
vdW-DF2-b86r.sec LibXC: Add section for every functional 2021-03-05 15:56:24 +01:00
vdW-DF2.sec LibXC: Add section for every functional 2021-03-05 15:56:24 +01:00
WB97X_2LP.sec Add wb97x2 (Anna Hehn) (#2030) 2022-03-28 16:23:52 +02:00
WB97X_2TQZ.sec Add wb97x2 (Anna Hehn) (#2030) 2022-03-28 16:23:52 +02:00