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6148624fe7
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Optimized qp_edit -n (#60)
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2019-08-21 16:29:23 +02:00 |
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Thomas Applencourt
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8b14e190a9
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Fix spurious EOF
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2019-08-20 01:12:05 +02:00 |
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f4f75509db
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Biblio (#58)
* Update biblio
* Update paper
* Journal missing in research.bib
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2019-08-19 20:16:33 +02:00 |
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fcade8c8f7
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Fixed installation issues with OPAM
* Changed native into SSE4.2 in gfortran.cfg
* Fixed rm opam_installer
* Fixing opam installation
* Introduce NO_CACHE in configure for daily test
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2019-08-19 20:11:39 +02:00 |
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cd2b606daa
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Biblio (#57)
* Update biblio
* Update paper
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2019-08-19 18:57:43 +02:00 |
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b65400c544
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Update biblio (#55)
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2019-08-19 13:14:01 +02:00 |
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faaba29eb7
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Fix rm opam_installer.sh (#53)
* Changed native into SSE4.2 in gfortran.cfg
* Fixed rm opam_installer
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2019-07-26 12:39:58 +02:00 |
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ff3e5b2ac1
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Force opam installation with OCaml 4.7.1
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2019-07-24 13:05:12 +02:00 |
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2e86462070
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Update README.md
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2019-07-24 12:56:45 +02:00 |
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861aed9dd4
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Update GITHUB.md
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2019-07-24 12:40:05 +02:00 |
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2f89be4ee9
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Fixing travis
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2019-07-24 12:33:08 +02:00 |
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0007455846
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Fixing travis
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2019-07-24 10:27:39 +02:00 |
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be6c9b533e
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Fixing travis
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2019-07-24 09:36:51 +02:00 |
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c405dc99d3
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Fixing travis
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2019-07-24 09:07:49 +02:00 |
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4e58fe7576
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Typo
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2019-07-24 08:12:22 +02:00 |
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a8dbea61d3
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Fixed opam installation
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2019-07-24 08:11:17 +02:00 |
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edd2276b75
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Fixed usleep
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2019-07-09 17:33:44 +02:00 |
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1120d572fa
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Cleaning allocation of string
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2019-07-09 17:18:05 +02:00 |
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a6c95879de
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Merge pull request #50 from QuantumPackage/bugfix
Fix bug with deterministic PT2
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2019-07-09 14:34:11 +02:00 |
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3763767f77
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Fix bug with deterministic PT2
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2019-07-09 13:40:06 +02:00 |
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3967b197fa
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Biblio
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2019-07-03 08:29:59 +02:00 |
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6479c294e8
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Updated documentation
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2019-06-15 00:29:13 +02:00 |
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51f81843a6
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Updated documentation
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2019-06-15 00:20:35 +02:00 |
|
Anthony Scemama
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2026a1d11f
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Merge pull request #46 from QuantumPackage/dev-lct
Dev lct
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2019-06-11 11:16:33 +02:00 |
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da0ce1e11f
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Added bibtex entry
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2019-06-11 10:47:03 +02:00 |
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Emmanuel Giner LCT
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c568f0b943
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Merge branch 'master' into dev-lct
|
2019-06-08 16:40:13 +02:00 |
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Emmanuel Giner LCT
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de0802a56d
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Merge branch 'dev-lcpq' into dev-lct
|
2019-06-08 16:39:38 +02:00 |
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Emmanuel Giner LCT
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ff4f6d1c98
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modifs in ec_lyp
|
2019-06-08 16:39:12 +02:00 |
|
Anthony Scemama
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231b071d78
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Merge pull request #45 from QuantumPackage/dev-lcpq
Dev lcpq
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2019-06-08 16:24:33 +02:00 |
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22ab996d00
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Merge branch 'anbenali-Fix_Bug_ECP'
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2019-06-08 15:52:55 +02:00 |
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00375418e5
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Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP
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2019-06-08 15:52:33 +02:00 |
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cf4f9990bc
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Updated citation.ccf
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2019-06-08 15:44:18 +02:00 |
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c7dedf49ed
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More efficient multi-state selection
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2019-06-08 15:14:57 +02:00 |
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4c5759fe6f
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Modified README
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2019-06-08 15:14:38 +02:00 |
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c7ef5fc8c7
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Fixed tests
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2019-06-05 18:57:17 +02:00 |
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3c6b417ae7
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Type conversion
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2019-06-05 18:00:04 +02:00 |
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9c028127a0
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Updated configure
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2019-06-05 17:48:19 +02:00 |
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ab10efa313
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Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq
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2019-06-05 17:39:13 +02:00 |
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f36629173d
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Updated configure
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2019-06-05 17:39:01 +02:00 |
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8a127a9bab
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added selection_weight to fci slave
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2019-06-05 17:34:36 +02:00 |
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8cdcd08579
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Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq
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2019-06-05 17:28:46 +02:00 |
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720a63aadf
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Bubblewrap and libcap install scripts
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2019-06-05 17:28:15 +02:00 |
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b71579ab43
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Moved print_e_components
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2019-06-05 16:17:53 +02:00 |
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7c285bddf3
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Printing of components of energy:
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2019-06-05 15:38:05 +02:00 |
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453cfa0b65
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Improved weights
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2019-06-05 15:07:36 +02:00 |
|
Emmanuel Giner LCT
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71c186e67a
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added gradients of the squared of the total density
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2019-06-04 19:35:09 +02:00 |
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04ca07a540
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Modified weighted selection for exp
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2019-06-04 18:13:52 +02:00 |
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f514ba0acd
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Fixed bug in deterministic variance
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2019-06-04 18:11:50 +02:00 |
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bd9816d6e3
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Fixed ZMQ stalling because of pseudo_sym
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2019-06-04 18:10:56 +02:00 |
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6455b281ff
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Compiles
|
2019-06-04 11:56:06 +02:00 |
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