Manu
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3e3c0567e1
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MRCC is ok with selected excitation operators
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2015-07-20 14:19:11 +02:00 |
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Manu
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3d64bcd83a
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fixed bug in dressed_matrix
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2015-07-20 13:35:38 +02:00 |
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Thomas Applencourt
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e712cb410e
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Merge pull request #97 from TApplencourt/master
Add bulddir variable in ninja
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2015-07-16 17:54:17 +02:00 |
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Thomas Applencourt
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ce22e1a875
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Merge branch 'master' into develop
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2015-07-16 17:48:13 +02:00 |
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Thomas Applencourt
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997d0aebbd
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Beter message when installing
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2015-07-16 17:45:42 +02:00 |
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Thomas Applencourt
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b8152bb47a
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Add builddir for more amazingness
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2015-07-16 17:36:38 +02:00 |
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Thomas Applencourt
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3f84e59f06
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Merge pull request #96 from TApplencourt/master
Correction of install Bug
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2015-07-16 16:44:54 +02:00 |
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Thomas Applencourt
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f49fea0620
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Merge branch 'develop'
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2015-07-16 15:50:37 +02:00 |
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Thomas Applencourt
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582c608b3e
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REMOVE EZFIO_FILE/REAMD.rst
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2015-07-16 15:50:26 +02:00 |
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Thomas Applencourt
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295950dbfc
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Merge branch 'LCPQ-master' into develop
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2015-07-16 15:44:59 +02:00 |
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Thomas Applencourt
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99444757b1
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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Thomas Applencourt
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31e534ba67
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Merge tag '0.1.0' into develop
Test
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2015-07-16 15:26:56 +02:00 |
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Thomas Applencourt
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4d9b1389dc
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Merge branch 'release/0.1.0'
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2015-07-16 15:26:43 +02:00 |
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Thomas Applencourt
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ec9bb7fad8
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Remove README.rst in Ezfio_file
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2015-07-16 15:22:29 +02:00 |
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Thomas Applencourt
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d067773d3a
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Fix coherency
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2015-07-16 15:20:31 +02:00 |
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Thomas Applencourt
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8eac20aa2e
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Beter uninstalation
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2015-07-16 14:41:39 +02:00 |
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Thomas Applencourt
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e195685c4b
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Going back to png
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2015-07-16 14:25:20 +02:00 |
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Thomas Applencourt
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aa2166bf1e
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Beter error handler
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2015-07-16 12:15:07 +02:00 |
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Thomas Applencourt
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b9215aad50
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Clean
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2015-07-16 11:39:52 +02:00 |
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Thomas Applencourt
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c38e042781
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Fix graphiz dl format archive
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2015-07-16 10:53:40 +02:00 |
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Thomas Applencourt
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740c746b9c
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Debuging travis
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2015-07-16 10:49:25 +02:00 |
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Thomas Applencourt
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c7c9243c21
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Fix README and graphiz
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2015-07-16 10:40:57 +02:00 |
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Thomas Applencourt
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21d5f63841
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Add dot_parser.py
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2015-07-16 08:59:43 +02:00 |
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Thomas Applencourt
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15cf4e48ee
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Add FAQ into README
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2015-07-15 14:31:48 +02:00 |
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Emmanuel Giner
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cd95492768
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Merge pull request #3 from LCPQ/master
merge
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2015-07-15 14:16:17 +02:00 |
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Manu
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a08101a3b7
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Pull ok
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2015-07-15 14:04:56 +02:00 |
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Manu
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0b3f0e4af6
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Trying to pull
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2015-07-15 14:02:13 +02:00 |
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Manu
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b39c118b86
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Minor modiffs (2)
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2015-07-15 14:01:43 +02:00 |
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Manu
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69250d7a2e
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Minor modiffs
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2015-07-15 14:01:06 +02:00 |
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Thomas Applencourt
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447b3b3523
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Merge pull request #95 from TApplencourt/master
New travis
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2015-07-15 13:25:46 +02:00 |
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Thomas Applencourt
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b4c45f154a
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Maj .gitignore HF
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2015-07-15 11:21:05 +02:00 |
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Thomas Applencourt
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7eee7cc36d
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Maj .gitignore HF
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2015-07-15 11:17:00 +02:00 |
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Thomas Applencourt
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a427f27f3a
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Merge tag 'fix_new_module_tag_error' into develop
Clean before unistall
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2015-07-15 11:01:16 +02:00 |
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Thomas Applencourt
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71c3500318
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Merge branch 'hotfix/fix_new_module_tag_error'
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2015-07-15 11:00:38 +02:00 |
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Thomas Applencourt
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5bfc28b1f7
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When uninstall module cleaning fist
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2015-07-15 11:00:23 +02:00 |
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Thomas Applencourt
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2bd6a05beb
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Try new travis
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2015-07-15 09:50:51 +02:00 |
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b6d8531583
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Accelerated S^2
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2015-07-14 01:06:28 +02:00 |
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Emmanuel Giner
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d9ebed61db
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Merge pull request #2 from scemama/master
MRCC utils
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2015-07-13 18:31:05 +02:00 |
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4dbe5dcd5d
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read_wf has to be true for mrcc
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2015-07-13 18:26:34 +02:00 |
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0228909819
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Renamed mrcc in mrcc_cassd
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2015-07-13 18:05:19 +02:00 |
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05124ab5d4
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Cleaned MRCC in MRCC_Utils
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2015-07-13 18:00:38 +02:00 |
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Manu
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cc89da9db3
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minor modiff in bitmasks.irp.f
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2015-07-13 14:55:06 +02:00 |
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70423eb4f0
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Corrected bug for CO2 in pseudopotentials
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2015-07-07 16:25:17 +02:00 |
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Thomas Applencourt
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63055bbbce
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Beter doc
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2015-07-06 14:18:11 +02:00 |
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Anthony Scemama
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dd30c6ce74
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Merge pull request #93 from scemama/master
Working MRCC, sorted .gitignore and $QP_ROOT in comments
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2015-07-04 00:17:02 +02:00 |
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58ada7058f
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Sort gitignore to avoid stupid conflicts
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2015-07-04 00:11:06 +02:00 |
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01418be1c7
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Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master
Conflicts:
ocaml/.gitignore
plugins/CAS_SD/.gitignore
plugins/CAS_SD/README.rst
plugins/Full_CI/.gitignore
plugins/Full_CI/README.rst
plugins/Hartree_Fock/.gitignore
plugins/MRCC/.gitignore
plugins/MRCC/README.rst
plugins/MRCC/mrcc_utils.irp.f
plugins/Molden/.gitignore
plugins/Molden/tree_dependency.png
src/Determinants/.gitignore
src/Determinants/README.rst
src/Ezfio_files/README.rst
src/Integrals_Monoelec/.gitignore
src/MOGuess/.gitignore
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2015-07-03 23:56:32 +02:00 |
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Manu
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12e81de1c7
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MRCC converges with tiny matrixes
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2015-07-03 19:19:44 +02:00 |
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Manu
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fb1e97ce1a
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bug in mrcc with tiny matrix for the dressing
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2015-07-03 18:50:07 +02:00 |
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0aff5aa468
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Pseudo-Corrected NaN in pseudo-potentials
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2015-07-03 15:42:12 +02:00 |
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