Thomas Applencourt
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58b683ea81
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Fix import
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2015-06-04 17:37:43 +02:00 |
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Thomas Applencourt
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62ef20c607
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Cleaning but qp_ninja is now long...
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2015-06-04 17:01:50 +02:00 |
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Thomas Applencourt
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2ecacdd18e
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Realy fix the readme... Maybe to mush
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2015-06-04 12:15:54 +02:00 |
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Thomas Applencourt
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23921b3e08
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Add mising tree
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2015-06-04 12:10:48 +02:00 |
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Thomas Applencourt
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30df5835a1
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update_readme.py and so one
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2015-06-04 12:09:28 +02:00 |
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Thomas Applencourt
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81ca7f2545
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Remove ASSUMPTIONS.rst. Put it direcly in README.rst
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2015-06-04 11:17:01 +02:00 |
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Thomas Applencourt
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62595e5f25
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Remove NEEDCHILDREN,inlcude and lib dir And move unit_test
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2015-06-04 10:53:43 +02:00 |
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Thomas Applencourt
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6465b8e9fd
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Set_ezfio_module_energy for DDCI and CAS_SD and and a COMPILE_RUN.md tutorial
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2015-06-03 18:33:35 +02:00 |
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Thomas Applencourt
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be114d1d88
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BYE BYE MAKEFILE ninja !
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2015-06-03 17:52:41 +02:00 |
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Thomas Applencourt
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c63cbab3ee
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Fix include
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2015-06-03 15:32:43 +02:00 |
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Thomas Applencourt
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e99034d3f9
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Try to merge...
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2015-06-03 14:03:11 +02:00 |
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Thomas Applencourt
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515020863c
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Add missing tree
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2015-06-03 13:52:38 +02:00 |
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Thomas Applencourt
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8bf723dcfc
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Mega cleaning.
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2015-06-02 18:17:59 +02:00 |
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Thomas Applencourt
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7396f2985f
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Modify some file
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2015-06-02 15:47:24 +02:00 |
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e4942942eb
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Repaired Travis
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2015-05-28 13:18:34 +02:00 |
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Thomas Applencourt
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5f0883c05c
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Fix cache_compile.py and ninja make all the binary
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2015-05-28 12:03:14 +02:00 |
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0267780a19
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Compiles with IRPF90/ninja
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2015-05-28 01:22:02 +02:00 |
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Thomas Applencourt
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ba49beff36
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Remove makefile.depend dependancy !
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2015-05-27 11:02:13 +02:00 |
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80210ba8cc
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Repaired travis
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2015-05-27 00:55:29 +02:00 |
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23a8215da3
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Updated pseudo_grid
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2015-05-26 23:35:35 +02:00 |
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1e12737e0e
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Changed pseudo_ao in EZFIO
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2015-05-26 21:37:17 +02:00 |
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Thomas Applencourt
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af1acde61f
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Add Update_readme to ninja
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2015-05-26 17:43:43 +02:00 |
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Thomas Applencourt
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9746c6df28
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Add ninja instaler, First try travis
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2015-05-26 10:42:21 +02:00 |
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Thomas Applencourt
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47b8ca4873
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Ninja work now /tmp/ninja/ninja -v -d explain build_all_binary!
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2015-05-25 18:40:20 +02:00 |
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54a1487abb
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Travis didn't compile
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2015-05-21 11:41:10 +02:00 |
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Thomas Applencourt
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c392599f84
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Still working on ninja
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2015-05-21 11:30:15 +02:00 |
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23e3f5c5e8
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Forgot file
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2015-05-21 10:58:55 +02:00 |
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e50e967018
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Added Davidson in MRCC
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2015-05-21 10:15:13 +02:00 |
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Thomas Applencourt
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b91e0048df
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Add cache for the fortran
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2015-05-20 16:01:41 +02:00 |
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Thomas Applencourt
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de5a05377a
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Add ninja.build generator
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2015-05-18 12:12:44 +02:00 |
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Thomas Applencourt
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538dfff980
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New Working (maybe?) makefile
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2015-05-15 16:30:43 +02:00 |
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7c0fd00c1f
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Added module DensityFit
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2015-05-13 22:53:26 +02:00 |
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Thomas Applencourt
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6e182577e3
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Cleaning makefile
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2015-05-13 18:15:01 +02:00 |
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Thomas Applencourt
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4ce217a354
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n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance
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2015-05-12 15:14:54 +02:00 |
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Thomas Applencourt
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1157baa8e3
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Fix a dependancy when disosiate bielec_integral and mono_elec
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2015-05-12 11:55:52 +02:00 |
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Thomas Applencourt
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6d8004e723
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Change Bielec_integrals => Integrals_Bielec
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2015-05-12 11:30:05 +02:00 |
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Thomas Applencourt
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f628bdee18
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Rename MonoInts into Integrals_Monoelec
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2015-05-12 11:05:07 +02:00 |
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Thomas Applencourt
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1a634b4ed2
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Change image name, add image in README.rst, and add Graphviz in dependancy
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2015-05-12 10:39:49 +02:00 |
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Thomas Applencourt
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5777753d6b
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Add all.png to git
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2015-05-12 10:05:20 +02:00 |
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e438d8582b
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Removed Output module
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2015-05-11 19:41:56 +02:00 |
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3d91adf84b
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CLeaning pseudos
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2015-05-11 17:58:42 +02:00 |
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0c9d9b50dd
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Move do_pseudo
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2015-05-11 15:50:39 +02:00 |
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71a43d2ed1
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Split Vloc/Vnon_loc
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2015-05-11 15:33:08 +02:00 |
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e34c22adc2
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Merge branch 'TApplencourt-master'
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2015-05-11 15:06:23 +02:00 |
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e82be2bcd9
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Reset pot_ao_ints.f
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2015-05-11 15:06:22 +02:00 |
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4d82bd5fe8
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Split pseudo in local/non-local
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2015-05-11 14:54:43 +02:00 |
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Thomas Applencourt
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78bbef97fc
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Add missing file
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2015-05-11 14:45:37 +02:00 |
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Thomas Applencourt
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4a45182ff7
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Put pseudo in pseudo and add suport for SIZE un ezfio.cfg
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2015-05-11 14:40:55 +02:00 |
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Thomas Applencourt
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02cfbc8a8d
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Merge branch 'master' of github.com:TApplencourt/quantum_package
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2015-05-07 16:22:42 +02:00 |
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Thomas Applencourt
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dd93830594
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Merge pull request #14 from scemama/master
Merger with scemama
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2015-05-07 16:37:46 +02:00 |
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