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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-16 07:50:21 +02:00
Commit Graph

2178 Commits

Author SHA1 Message Date
1097b4489b Thesis Yann 2019-02-06 17:41:34 +01:00
489f9bd969 Fixed hf_energy 2019-02-06 16:49:32 +01:00
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c3aa9dbe3b Merge branch 'master' into develop 2019-02-06 15:30:18 +01:00
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977ccbad29 merge 2019-02-06 15:29:28 +01:00
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4759309d11 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop 2019-02-06 15:27:59 +01:00
2016edd734 Added test 2019-02-05 22:15:29 +01:00
9babb038dc Fixed davidson ZMQ termination 2019-02-05 18:44:03 +01:00
5a8a4fb37e Fixed wrong Assert 2019-02-05 18:31:11 +01:00
e7267463c8 Fixed u0Hu0 2019-02-05 12:02:50 +01:00
60255980e9 Mono -> Single 2019-02-04 23:51:09 +01:00
37fe028626 Fixed travis 2019-02-04 23:23:08 +01:00
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6ffdccb26d added source/programmers_guide/new_ks.rst 2019-02-04 19:43:39 +01:00
75b50cf4d6 Fixed Travis 2019-02-04 19:33:15 +01:00
54c4b15324 Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop 2019-02-04 18:29:02 +01:00
acab743773 Distributed only when Ndet > 100 000 2019-02-04 18:21:21 +01:00
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44b9318bae added README.rst in new_functionals 2019-02-04 16:13:42 +01:00
915217bc15 Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop 2019-02-04 15:43:42 +01:00
ba3c3ab7e1 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop 2019-02-04 15:40:32 +01:00
f37f7ae87a Removed SOP as default 2019-02-04 15:40:24 +01:00
df3a4fce2b Optimized communications 2019-02-04 13:20:24 +01:00
7deb62cb4a Merge olympe:qp2 into develop 2019-02-04 13:17:59 +01:00
35143c336e Error messages 2019-02-04 13:14:57 +01:00
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981b563177 added dft_one_e/README.rst 2019-02-04 13:14:05 +01:00
dd14a4f50d Better handling of pt2 tasks 2019-02-03 17:30:28 +01:00
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e41e34be58 Merge branch 'develop' into develop_manu 2019-02-01 16:29:52 +01:00
ca26262907 Type error in sending 2019-01-31 17:57:36 +01:00
e62dd629c4 Longer tasks 2019-01-31 17:43:06 +01:00
d76f39527d Update mini in slaves 2019-01-31 17:28:54 +01:00
8bd05b2c3f Asynchronous ZMQ 2019-01-31 17:23:47 +01:00
3cf722374b Improved openmp in selection 2019-01-31 11:57:46 +01:00
9b0d38fb7b Reduced RAM in pt2 slaves 2019-01-31 11:26:13 +01:00
97361aaf17 Merge olympe:qp2 into develop 2019-01-31 11:20:27 +01:00
4289859204 Introduced HF denominator 2019-01-31 11:20:17 +01:00
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ecaa190f63 Merge branch 'develop' into develop_manu 2019-01-30 18:38:08 +01:00
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1ae6af7ce3 changed the configure 2019-01-30 18:28:52 +01:00
Anthony Scemama
34fae6be69
Merge branch 'master' into develop 2019-01-30 17:28:15 +01:00
55baae2e11 Doc 2019-01-30 17:23:49 +01:00
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ab5fd75524 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop 2019-01-30 11:47:08 +01:00
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a20dfdee69 changed the configure to add new functionals 2019-01-30 11:43:36 +01:00
876c9d5fb4 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop 2019-01-30 11:11:34 +01:00
7521d3da46 Folder -> directory 2019-01-29 23:10:00 +01:00
8f4450f8c5 Reduced ZMQ buffers 2019-01-29 21:48:59 +01:00
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9762b51df5 added new feature for new dft functionals 2019-01-29 18:49:25 +01:00
8e6603c85a Forgot files 2019-01-29 18:28:15 +01:00
f4bff28cd1 Warnings in documentation 2019-01-29 17:09:08 +01:00
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3315d9855d added dft_one_e 2019-01-29 16:13:43 +01:00
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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
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2a98bc5d39 fixed laplacian of aos 2019-01-28 15:58:44 +01:00
c35594edd3 Fixing Davidson 2019-01-28 13:00:59 +01:00