4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 04:22:39 +01:00
Commit Graph

8 Commits

Author SHA1 Message Date
11949b84bc update UGW 2020-09-21 16:54:38 +02:00
Clotilde Marut
d1c24948dd correction of EA sign and added Fundamental Gap in the print 2020-07-09 10:44:19 +02:00
91a0120eee fix problem with individual energies 2020-07-08 10:55:03 +02:00
2c2f02d701 clean up 2020-07-06 15:42:21 +02:00
Clotilde Marut
22dda9af8b minor modifications 2020-07-04 13:19:45 +02:00
Clotilde Marut
e8d4938fe5 more modifications in the final print for eDFT_UKS 2020-07-02 22:15:29 +02:00
Clotilde Marut
c081a2664a starting modifying code for parameters of CC functional 2020-07-02 15:40:30 +02:00
Clotilde Marut
1753f4190d clean up unrestricted 2020-07-02 14:27:38 +02:00