eginer
|
1ae6af7ce3
|
changed the configure
|
2019-01-30 18:28:52 +01:00 |
|
eginer
|
ab5fd75524
|
Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop
|
2019-01-30 11:47:08 +01:00 |
|
|
|
7521d3da46
|
Folder -> directory
|
2019-01-29 23:10:00 +01:00 |
|
eginer
|
9762b51df5
|
added new feature for new dft functionals
|
2019-01-29 18:49:25 +01:00 |
|
|
|
f4bff28cd1
|
Warnings in documentation
|
2019-01-29 17:09:08 +01:00 |
|
eginer
|
3315d9855d
|
added dft_one_e
|
2019-01-29 16:13:43 +01:00 |
|
eginer
|
dd5a451679
|
corrected the laplacians of aos
|
2019-01-29 16:08:28 +01:00 |
|
|
|
7fc9d2540f
|
Fixing travis
|
2019-01-28 22:01:50 +01:00 |
|
|
|
c35594edd3
|
Fixing Davidson
|
2019-01-28 13:00:59 +01:00 |
|
|
|
0c88a04ec8
|
Tuned pt2_F
|
2019-01-28 12:46:08 +01:00 |
|
|
|
89d3f6312d
|
Fixing Davidson
|
2019-01-27 22:43:44 +01:00 |
|
|
|
29ec5aeea3
|
Fixed tests
|
2019-01-27 22:12:25 +01:00 |
|
|
|
dcbce52da1
|
Fixed Davidson
|
2019-01-27 21:58:36 +01:00 |
|
|
|
cd79047f1c
|
Fixing Davidson
|
2019-01-27 19:04:20 +01:00 |
|
|
|
318b1af239
|
Fixing Davidson
|
2019-01-26 19:13:31 +01:00 |
|
|
|
f1e14f0851
|
Fixing Davidson
|
2019-01-26 12:37:25 +01:00 |
|
|
|
63fcb619aa
|
Fixing MPI Davidson
|
2019-01-26 11:29:57 +01:00 |
|
|
|
de1ea90b1e
|
Fixed memory in pt2 slaves
|
2019-01-26 10:56:39 +01:00 |
|
|
|
263b724e1a
|
Fixing large parallel runs
|
2019-01-26 10:34:22 +01:00 |
|
|
|
0992b52dcf
|
Added error messages in davidson slave
|
2019-01-25 17:02:44 +01:00 |
|
|
|
f830999041
|
Included documentation
|
2019-01-25 14:54:38 +01:00 |
|
|
|
24d9745056
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
