cp2k/tests/QS/regtest-debug-1
Juerg Hutter 00065fbbfa
Optionally switch off ADMM XC correction in TDDFPT kernel (#2205)
* GAPW_XC bug fix for linear response

* GAPW/GAPW_XC linear response refactoring

* Prettify and update regtests

* Remove filter and adjust regtest value

* Pretty

* Linear response for ADMM/GAPW

* TDDFT/ADMM/GAPW excitation energies. More regtests. Some refactoring.

* Merge with upstream

* Optionally switch off ADMM XC correction in TDDFPT kernel
2022-07-16 19:47:41 +02:00
..
h2o_dipole.inp Remove tabs and trailing spaces 2021-03-11 20:06:46 +01:00
h2o_gapw.inp Reduce runtime of regtests, add missing regtests directories 2021-09-21 19:24:41 +02:00
h2o_gapw_xc.inp TDDFT/Linear Response : Add GAPW/GAPW_XC and ADMM/GAPW options (#2200) 2022-07-15 17:34:29 +02:00
h2o_gga.inp TDDFT Forces (beta version) (#1670) 2021-10-11 18:13:50 +02:00
h2o_pdip.inp Remove tabs and trailing spaces 2021-03-11 20:06:46 +01:00
h2o_periodic.inp Remove tabs and trailing spaces 2021-03-11 20:06:46 +01:00
h2o_polar.inp TDDFT Forces (beta version) (#1670) 2021-10-11 18:13:50 +02:00
TEST_FILES Optionally switch off ADMM XC correction in TDDFPT kernel (#2205) 2022-07-16 19:47:41 +02:00