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76cc05f7cd
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Save MRCC WF
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2018-07-24 17:59:14 +02:00 |
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dd441417e8
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Merge branch 'master' of https://github.com/garniron/quantum_package into garniron-master
Conflicts:
config/ifort.cfg
data/pseudo/tn_df
plugins/MRCC_Utils/H_apply.irp.f
src/Determinants/H_apply_zmq.template.f
src/Determinants/davidson.irp.f
src/Utils/LinearAlgebra.irp.f
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2016-07-07 13:30:58 +02:00 |
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Yann Garniron
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ee257c3d6f
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merge with LCPQ
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2016-07-06 16:15:47 +02:00 |
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8e02fe0497
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Selection criterion fixed in var_pt2_ratio
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2016-07-05 14:03:03 +02:00 |
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177bcb0854
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Corrected pseudos
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2016-04-04 12:25:47 +02:00 |
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809cf9b045
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Added more atoms in pseudo
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2016-04-04 11:48:13 +02:00 |
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e125ab3e0e
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Added Trail-Needs small core pseudos
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2016-04-03 18:19:35 +02:00 |
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1754dfaca7
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Added Trail-Needs pseudopotentials
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2016-04-03 17:08:34 +02:00 |
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4696e3d5a9
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Pseudo in OCaml
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2016-01-25 15:44:15 +01:00 |
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