|
|
f7831c033a
|
Fixed read wf
|
2017-11-29 12:17:01 +01:00 |
|
|
|
3ac2e2d8c3
|
Fixed CISD
|
2017-11-29 10:06:55 +01:00 |
|
|
|
8dd2dcb44f
|
Reduced memory in 4idx
|
2017-11-29 09:35:11 +01:00 |
|
|
|
e4080ce676
|
Fixed CAS_SD
|
2017-11-28 18:20:26 +01:00 |
|
|
|
ff8fcfa42b
|
qdpt test
|
2017-11-28 17:11:44 +01:00 |
|
|
|
d680c85b8c
|
Parallelism OK
|
2017-11-28 15:51:21 +01:00 |
|
|
|
c476aa1159
|
MPI with I/O
|
2017-11-28 14:20:17 +01:00 |
|
|
|
1a5a4d5ff2
|
Introduced MPI for EZFIO accesses
|
2017-11-28 01:05:28 +01:00 |
|
|
|
6b0b988ee8
|
Fixed overflow
|
2017-11-27 23:38:48 +01:00 |
|
|
|
68967d2101
|
Improved Parallelism
|
2017-11-27 23:18:18 +01:00 |
|
|
|
a9aeda4958
|
Packed tasks for PT2 stoch
|
2017-11-27 19:44:29 +01:00 |
|
|
|
fa7505ceca
|
Fixed qp_run
|
2017-11-27 17:18:14 +01:00 |
|
|
|
a672cdb445
|
Selectors_Utils is not a core module
|
2017-11-27 16:40:40 +01:00 |
|
|
|
5fcb1e455e
|
FIxed travis
|
2017-11-27 16:31:00 +01:00 |
|
|
|
1705a29815
|
Fixed travis
|
2017-11-27 13:43:05 +01:00 |
|
|
|
37c05e25e2
|
Forgot file
|
2017-11-27 13:17:02 +01:00 |
|
|
|
3aa99f23b6
|
ZMQ_PUSH
|
2017-11-27 12:07:27 +01:00 |
|
|
|
db87e1d3c4
|
Removed GPI2
|
2017-11-27 12:05:51 +01:00 |
|
|
|
0df48e6b15
|
Cleaning
|
2017-11-27 11:28:16 +01:00 |
|
|
|
12295ce7c0
|
Removed aligns
|
2017-11-27 10:58:32 +01:00 |
|
|
|
fc5f0b9745
|
mpif.h
|
2017-11-27 09:58:48 +01:00 |
|
|
|
4243595a17
|
reset ifort_mpi.cfg
|
2017-11-27 02:20:34 +01:00 |
|
|
|
99cbe9cfe3
|
Stabilized parallel calculations
|
2017-11-27 02:04:05 +01:00 |
|
|
|
3aeff1b2b1
|
Fixed MPI parallelism
|
2017-11-27 00:09:25 +01:00 |
|
|
|
514b13bc2f
|
Introduced put/get in OCaml
|
2017-11-26 23:47:19 +01:00 |
|
|
|
d6ac6e6e73
|
Debugging
|
2017-11-26 11:15:58 +01:00 |
|
|
|
9a0654c17d
|
Error messages
|
2017-11-24 01:02:53 +01:00 |
|
|
|
e09e270a01
|
Better error messages
|
2017-11-23 21:12:41 +01:00 |
|
|
|
077e140a9d
|
Fixed MPI
|
2017-11-23 19:24:42 +01:00 |
|
|
|
ae1cb2dfd5
|
Chunks in broadcast
|
2017-11-23 18:43:04 +01:00 |
|
|
|
11913e211c
|
MPI_SUCCESS
|
2017-11-23 18:07:24 +01:00 |
|
|
|
e111130454
|
MPI broadcast works
|
2017-11-23 12:17:47 +01:00 |
|
|
|
5469ba87ea
|
Forgot file
|
2017-11-23 11:16:38 +01:00 |
|
|
|
b14ccfe5dd
|
Merge branch 'feature/mpi' into develop
|
2017-11-23 10:36:10 +01:00 |
|
|
|
e55a1565e8
|
MPI test is OK
|
2017-11-23 10:35:13 +01:00 |
|
|
|
334f165ff1
|
First MPI tests seem OK
|
2017-11-22 17:07:16 +01:00 |
|
|
|
6f68bc69e9
|
Final print
|
2017-11-22 16:23:56 +01:00 |
|
|
|
38831926db
|
Final print
|
2017-11-22 16:21:16 +01:00 |
|
|
|
66930be4c4
|
Print
|
2017-11-21 17:20:18 +01:00 |
|
|
|
32614df72b
|
Fixed multi-state
|
2017-11-21 15:52:16 +01:00 |
|
|
|
c63d4255d7
|
Added exrtapolation
|
2017-11-21 15:40:04 +01:00 |
|
Yann Garniron
|
efd37a5adc
|
removed useless parameter coef in mrcc_part_dress_1c
|
2017-11-21 15:10:52 +01:00 |
|
Yann Garniron
|
aec9872ccb
|
removed delta_ij_cancel
|
2017-11-21 14:55:31 +01:00 |
|
|
|
cd3c13077a
|
Multi-state PT2
|
2017-11-21 14:53:32 +01:00 |
|
|
|
a290736145
|
Fixed PT2 stoch multistate
|
2017-11-21 10:43:38 +01:00 |
|
|
|
ca5f6efc93
|
Fixed print in Davdison
|
2017-11-21 09:24:39 +01:00 |
|
|
|
e0bd14a122
|
N_states saved with natorb
|
2017-11-20 15:48:36 +01:00 |
|
|
|
14eb5b4a42
|
Multi-state PT2 OK
|
2017-11-20 15:19:00 +01:00 |
|
|
|
31557a1180
|
Bohr possible in xyz
|
2017-11-20 12:25:12 +01:00 |
|
Yann Garniron
|
eb5b802bfb
|
merged mrcc_sto
|
2017-11-20 11:03:58 +01:00 |
|
