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mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
Commit Graph

6 Commits

Author SHA1 Message Date
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