 Anthony Scemama
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98f3692f4c
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
Emmanuel Giner
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1b376ec135
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rm Molden/aos.irp.f
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2016-03-15 01:16:56 +01:00 |
|
Emmanuel Giner
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7c01f2c003
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moved Molden/aos.irp.f in AO_Basis/aos.irp.f
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2016-03-15 01:16:24 +01:00 |
|
Lorenzo Tenti
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34dce5e161
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Now print_mo works with the new version of Molden, loc_cele fixed.
|
2016-03-14 17:32:20 +01:00 |
|
Anthony Scemama
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8a566b1e63
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Implemented Spherical AOs
|
2016-01-27 00:19:08 +01:00 |
|
Anthony Scemama
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696dcafed8
|
Update readme
|
2015-11-08 21:02:55 +01:00 |
|
Manu
|
3e3c0567e1
|
MRCC is ok with selected excitation operators
|
2015-07-20 14:19:11 +02:00 |
|
Anthony Scemama
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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
|
2015-07-03 23:56:32 +02:00 |
|
Manu
|
12e81de1c7
|
MRCC converges with tiny matrixes
|
2015-07-03 19:19:44 +02:00 |
|
Thomas Applencourt
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22c5bea198
|
Fix cleaning module bug
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2015-06-30 10:10:38 +02:00 |
|
Manu
|
65466718b0
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Fixed bug in NEEDED_... Molden
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2015-06-29 11:45:54 +02:00 |
|
Manu
|
ee81a80368
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Beginning the merge with qp old
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2015-06-29 10:35:29 +02:00 |
|
Thomas Applencourt
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6a91e63cf3
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Move into plugins
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2015-06-17 18:23:56 +02:00 |