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merge alors#26

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eginer wants to merge 659 commits into
eginer:masterfrom
scemama:master
Open

merge alors#26
eginer wants to merge 659 commits into
eginer:masterfrom
scemama:master

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@eginer

@eginer eginer commented Sep 24, 2018

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eginer pushed a commit that referenced this pull request Nov 30, 2018
@BarthelemyPradines
Merge pull request #26 from eginer/master
52b6c5c 
Le renard est dans le pullaier
scemama and others added 29 commits December 25, 2018 19:24
@scemama
gitignore files
d292f00
@eginer
minor changes in README.rst of many src files
3e54005
@eginer
added ROHF_b2.gms.out
95b618c
@scemama
TODO
67161ce
@eginer
modified some scripts
438b0ec
@scemama
Moved qp_plugins
aa48b24
@eginer @scemama
minor changes in README.rst of many src files
8ce4d46
@eginer @scemama
added ROHF_b2.gms.out
6e0a411
@eginer @scemama
modified some scripts
55eb3a8
@eginer
modified README.rst
a6fbca9
@eginer
Merge pull request #41 from scemama/master
6492c78 
TODO
@scemama
Added many test files
3974f18
@scemama
Z-matrix tests
b5402e5
@scemama
Fixed a few tests
a7afb7f
@scemama
Working on tests
0aa04f1
@scemama
README
56fd098
@scemama
README + configure
540c02c
@eginer
modifs in docs/intro
606d20d
@eginer @scemama
Toto (LCPQ#83)
062020f 
* minor changes in README.rst of many src files

* added ROHF_b2.gms.out

* modified some scripts

* modified README.rst

* modifs in docs/intro
@scemama
Merge
162f96c
@scemama
Removed all modules of doc
54b151e
@scemama
Added modules
123de03
@eginer
Merge pull request #42 from scemama/master
bb22f34 
Merge
@scemama
Fixed a few tests
c4fa067
@eginer
added qp_e_conv_fci
814613f
@eginer
changed the doc
6d808df
@eginer
added some README.rst
12489ce
@eginer
Merge branch 'toto' of https://github.com/eginer/quantum_package into…
4ba780b 
… toto
@scemama
All Hartree-Fock tests OK
0fc9640
scemama and others added 30 commits January 22, 2019 01:36
@scemama
Fixing travis
d0045a0
@eginer
added src/tools/print_bitmask.irp.f
ee9943c
@scemama
Removing a points in DFT grid when weight < 1.d-30
3d56ea4
@scemama
Merge branch 'toto' of github.com:eginer/quantum_package
adfc635
@scemama
Merge branch 'master' of https://github.com/scemama/quantum_package
0ec7455
@scemama
Merge branch 'master' of https://github.com/scemama/quantum_package
880d53c
@scemama
Doc
d256a82
@scemama
Fixing Davidson
c33eac5
@scemama
Using less RAM in selection
e846ddb
@scemama
Travis less verbose
b496534
@scemama
debug statements
5eebf19
@scemama
Fixing davidson
0203e1e
@scemama
Start distributed davdison after 400k
c940113
@scemama
Added exit 0 in configure
66fc23f
@scemama
Set distributed davidson for 400k
30df549
@scemama
Fixing Davidson
2024a9f
@eginer
Merge pull request #68 from scemama/master
8220519 
ah ben merge
@scemama
S2 in single precision
4a3296b
@scemama
pointer
0e8ebf3
@scemama
Merge branch 'toto' of github.com:eginer/quantum_package
c77c8b9
@scemama
Disk_based bug fixed
cad65f5
@scemama
Added ddci possibility for cassd plugin
7f9c313
@scemama
Merge branch 'master' of github.com:scemama/quantum_package
567e195
@scemama
Added get_occupation_from_dets
71ed4dd
@scemama
Avoid negative wll times
a1f934a
@scemama
Improved scalability
b7f752d
@scemama
Fixed qp_export_as_tgz
ef7df1d
@scemama
Fixed MPI deadlock in Davidson
6541634
@scemama
Changed number of task fragments
2ab065d
@scemama
Changed number of task fragments
f5476e4
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3 participants

@eginer @scemama @TApplencourt