 Anthony Scemama
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cf479a80af
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Avoid divergence in (T)
continuous-integration/drone/push Build is failing
Details
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2024-04-17 18:06:53 +02:00 |
|
Anthony Scemama
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e35e65ea2c
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Abs in CCSD
continuous-integration/drone/push Build is failing
Details
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2024-04-17 11:40:00 +02:00 |
|
Anthony Scemama
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b22c835ec8
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Add nthreads_pt2 to (T)
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2024-04-03 16:59:15 +02:00 |
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Anthony Scemama
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d93b529b36
|
Improve (T)
continuous-integration/drone/push Build is failing
Details
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2024-04-03 11:49:55 +02:00 |
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Anthony Scemama
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4f296efb66
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Fixed qp_export_as_tgz
continuous-integration/drone/push Build is failing
Details
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2023-12-05 17:19:47 +01:00 |
|
Anthony Scemama
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e2416a2d68
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Fix openMP compilation in CCSD
continuous-integration/drone/push Build is failing
Details
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2023-08-21 10:05:48 +02:00 |
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Anthony Scemama
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2201733dbe
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Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
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2023-08-21 09:56:09 +02:00 |
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Anthony Scemama
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a4d7648bb0
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Fix segfault in cholesky due to array syntax
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2023-08-21 09:56:07 +02:00 |
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Anthony Scemama
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467f756379
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Optimized A1 in CCSD
continuous-integration/drone/push Build is failing
Details
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2023-07-16 20:04:17 +02:00 |
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Anthony Scemama
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4ad7765127
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Minor changes
continuous-integration/drone/push Build is failing
Details
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2023-07-12 18:56:13 +02:00 |
|
Anthony Scemama
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fba2fefb19
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Moved loop
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2023-07-12 18:33:18 +02:00 |
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Anthony Scemama
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d4574f24d9
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Reduced memory in CCSD
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2023-07-12 12:34:48 +02:00 |
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Anthony Scemama
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1e390d8357
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Reduce memory
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2023-07-11 23:50:31 +02:00 |
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Anthony Scemama
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8c65e01eed
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I/O in Cholesky
continuous-integration/drone/push Build is failing
Details
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2023-07-11 17:31:58 +02:00 |
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Anthony Scemama
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64ee4eab75
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Removed all vvv in CCSD
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2023-07-11 15:13:01 +02:00 |
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Anthony Scemama
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326dbe7740
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Removed vvov
continuous-integration/drone/push Build is failing
Details
|
2023-07-10 23:32:43 +02:00 |
|
Anthony Scemama
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44956060e7
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Removed vvv arrays
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2023-07-10 22:50:15 +02:00 |
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Anthony Scemama
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9ce6eb78c8
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Cholesky in CCSD
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2023-07-10 13:30:51 +02:00 |
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Anthony Scemama
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905d88529f
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Reduced memory in cholesky SCF
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2023-07-07 17:47:51 +02:00 |
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Anthony Scemama
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e82220a6a4
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Working on Cholesky CCSD
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2023-07-06 02:12:42 +02:00 |
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Anthony Scemama
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94b1ae138b
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Cleaning
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2023-07-05 00:40:48 +02:00 |
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Anthony Scemama
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119779595a
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Accelerate Cholesky CCSD
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2023-07-04 23:43:26 +02:00 |
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Anthony Scemama
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0242e9c376
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Changed formats E to ES
continuous-integration/drone/push Build is failing
Details
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2023-07-04 22:17:31 +02:00 |
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Anthony Scemama
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9b0c270662
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Block cholesky
continuous-integration/drone/push Build is failing
Details
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2023-07-04 10:46:05 +02:00 |
|
Anthony Scemama
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faf43331ed
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Fix segfault in CC
continuous-integration/drone/push Build is failing
Details
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2023-07-04 01:46:49 +02:00 |
 Yann Damour
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88f168724e
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fix binary search (T)
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2023-06-15 14:46:17 +02:00 |
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Anthony Scemama
|
4d9e28438c
|
Improved I/O in CCSD
continuous-integration/drone/push Build is failing
Details
|
2023-06-12 14:05:36 +02:00 |
|
Anthony Scemama
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81b7751b00
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Fix bug in number of args
|
2023-06-02 16:10:04 +02:00 |
|
Anthony Scemama
|
5817bbf573
|
Reduced memory in CCSD
continuous-integration/drone/push Build is failing
Details
|
2023-05-17 17:50:35 +02:00 |
|
Anthony Scemama
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a8948d0916
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cholesky in big_array
|
2023-05-17 16:55:29 +02:00 |
|
Anthony Scemama
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46cbd80b95
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Accelerated Cholesky
|
2023-05-17 10:44:32 +02:00 |
|
Anthony Scemama
|
ee790fa1d8
|
Formatted output in (T)
continuous-integration/drone/push Build is failing
Details
|
2023-05-16 19:58:40 +02:00 |
|
Anthony Scemama
|
de07f73ed9
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Semi-stochastic (T) OK
|
2023-05-16 18:49:17 +02:00 |
|
Anthony Scemama
|
e3c0df574e
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Implementing stochastic (T)
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2023-05-16 01:40:40 +02:00 |
|
Anthony Scemama
|
adbc61a218
|
Merge lpqsv26:qp2 into dev-stable
continuous-integration/drone/push Build is failing
Details
|
2023-05-15 19:47:35 +02:00 |
|
Anthony Scemama
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7381405479
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Removed collapse in ccsd
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2023-05-15 19:37:34 +02:00 |
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Anthony Scemama
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873d978348
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Less multiplications in (T)
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2023-05-15 13:06:06 +02:00 |
|
Anthony Scemama
|
2e54537f15
|
v3 of (T) is fast!
continuous-integration/drone/push Build is failing
Details
|
2023-05-14 02:41:34 +02:00 |
|
Anthony Scemama
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d4ba229e6f
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Symmetries in (T)
|
2023-05-14 02:21:25 +02:00 |
|
Anthony Scemama
|
cad1da1768
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All permutations in ccsd_t_space_orb_abc.irp.f
|
2023-05-13 23:29:58 +02:00 |
|
Anthony Scemama
|
c18bea7e81
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Merged 4 calls
|
2023-05-13 22:23:08 +02:00 |
|
Anthony Scemama
|
2ff4e61c9e
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Better parallelism in (T)
|
2023-05-13 21:55:00 +02:00 |
|
Anthony Scemama
|
1c0141d9a2
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Full dgemm in ccsd_t_space_orb_abc.irp.f
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2023-05-13 21:25:49 +02:00 |
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Anthony Scemama
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ca5857ac36
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Added dgemm in ccsd_t_space_orb_abc.irp.f
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2023-05-13 15:34:16 +02:00 |
|
Anthony Scemama
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6289508c1e
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Swapped indices in CCSD(T)
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2023-05-13 13:54:24 +02:00 |
|
Anthony Scemama
|
69a76c6dba
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Added W_abc routines for (T)
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2023-05-12 19:17:20 +02:00 |
|
Anthony Scemama
|
0fa576f909
|
Accelerated (T)
|
2023-05-12 17:54:11 +02:00 |
|
Yann Damour
|
79c9d91d19
|
missing script ccsd
|
2023-04-18 11:20:36 +02:00 |
|
Yann Damour
|
fadbddc869
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add ccsd
|
2023-03-13 14:08:32 +01:00 |