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mirror of https://github.com/pfloos/quack synced 2024-11-07 22:53:59 +01:00
Commit Graph

12 Commits

Author SHA1 Message Date
bbe1c4b2ff fix N-centered 2021-12-06 15:27:39 +01:00
Clotilde Marut
c14f6c9aa1 CC modifs 2021-12-06 10:03:28 +01:00
Clotilde Marut
73f1ffaad3 CC functional 2021-11-25 17:45:48 +01:00
b0413b1d13 clean up CC-S51 functional 2021-11-24 11:53:25 +01:00
aadf942f83 curvature corrected functional revisited 2021-11-24 10:25:48 +01:00
0f28af6d50 Vxc in GW 2021-02-15 17:27:06 +01:00
2ea01fd77e scaling N-centered 2020-09-29 11:47:18 +02:00
Clotilde Marut
a96719d0c2 scaling of N-centered 2020-09-29 09:43:01 +02:00
Clotilde Marut
a4870ed165 added choice of exchange coefficient and choice of N-centered in the input file 2020-08-02 13:09:30 +02:00
Clotilde Marut
e068aab977 added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options 2020-08-01 11:45:17 +02:00
Clotilde Marut
09d3b39e63 modifications for the parameters of the weight-dependent functionnals 2020-07-02 18:49:42 +02:00
Clotilde Marut
1753f4190d clean up unrestricted 2020-07-02 14:27:38 +02:00