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c7f3d2674b
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Fix basis set
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2022-08-01 08:44:07 +02:00 |
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6861cea2ac
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Compiles with OCaml 4.13.1
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2022-06-08 11:08:53 +02:00 |
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afb2210175
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Fix error message in configure
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2022-01-25 22:40:01 +01:00 |
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8c39fffd4c
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Upgrade to resultsFile v2.3
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2021-12-20 19:05:13 +01:00 |
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1b6fb2e607
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More portable install script
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2021-11-16 23:35:30 +01:00 |
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b8c9836b74
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Updated f77zmq
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2021-11-16 19:22:54 +01:00 |
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81d0e9e5ac
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Removing faketty in configure
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2021-07-07 17:44:15 +02:00 |
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906d96c4df
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Simpler installation
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2021-07-05 19:14:59 +02:00 |
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6773acac06
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add qp2-dependencies
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2021-07-05 18:15:26 +02:00 |
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49fc21a9fa
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configure
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2021-07-05 16:53:34 +02:00 |
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11f2bd400a
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Simplified ocaml installation
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2021-07-05 15:37:33 +02:00 |
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b45339b791
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Fixed libcap problem on Jewels
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2021-04-16 16:36:35 +02:00 |
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c923aba44a
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Revert configure
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2021-04-16 16:33:29 +02:00 |
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886cfe6326
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Update configure
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2021-04-16 15:38:56 +02:00 |
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d55acad33f
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libcap without gperf
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2021-03-03 14:22:37 +01:00 |
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9cce1a98e7
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bump ocaml version
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2021-02-15 13:37:33 +01:00 |
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Travis
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b4fce4c594
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Fixed gmp
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2020-12-29 01:27:40 +01:00 |
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f120fb8177
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Irpf90 and EZIO as submodules
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2020-12-06 21:27:28 +01:00 |
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bae22bd940
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Update irpf90
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2020-12-06 17:03:10 +01:00 |
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b14f9af26e
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Added the GMP tar.gz to reduce pressure on GMP server.
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2020-12-06 16:12:59 +01:00 |
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c35212d111
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EZFIO
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2020-12-06 15:19:26 +01:00 |
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835c1eb3ae
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IRPF90 version
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2020-12-05 17:03:57 +01:00 |
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faa66ecb35
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IRPF90 version
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2020-12-05 17:03:04 +01:00 |
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dd384764f0
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Fixed configure -i all
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2020-12-05 16:30:26 +01:00 |
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46cc5048dc
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Merge branch 'csf' of github.com:QuantumPackage/qp2 into csf
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2020-12-05 16:29:41 +01:00 |
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951428837b
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Update IRPF90 version
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2020-12-05 16:29:36 +01:00 |
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1673b20d1f
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Error message
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2020-12-04 11:03:51 +01:00 |
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fce69d05f1
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Basis sex -> Basis set
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2020-08-26 10:19:40 +02:00 |
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5683fff109
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Update EZFIO
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2020-08-03 22:08:29 +02:00 |
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79f47d024b
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First python3 3 working installation
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2020-03-17 18:02:29 +01:00 |
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a4331ec6e4
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Merge branch 'dev' into features_python3
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2020-03-17 16:15:47 +01:00 |
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28578c0562
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use zmq_f77_free.h
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2020-03-05 08:51:39 +01:00 |
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3cf55e2676
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print_energy.irp.f
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2020-02-26 15:58:14 +01:00 |
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6676c9fa7b
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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2020-02-20 20:53:20 +01:00 |
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1e336c77c6
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Fixed EZFIO installation
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2020-02-20 19:41:30 +01:00 |
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d7978912bd
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Added the tgz of EZFIO for simplicity
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2020-02-20 19:33:42 +01:00 |
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2e1ed8ab79
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Merge pull request #78 from QuantumPackage/master
Bugfix
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2020-02-12 17:33:04 -06:00 |
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978c0e5b3c
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Fixed wrong path
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2020-02-12 21:42:49 +01:00 |
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6d10e4f0cc
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Fix resultsFile Python2 download
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2020-02-12 21:14:12 +01:00 |
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4a58d5cc15
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Updated configure
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2020-02-12 21:12:19 +01:00 |
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4572aa1661
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Added qp_basis
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2020-02-04 19:30:04 +01:00 |
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ad8adda841
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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1191679173
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Removed basis set files and added configure/install script
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2020-02-04 18:33:41 +01:00 |
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39be892bfe
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Fixed sexplib version in configure
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2020-01-07 09:25:00 +01:00 |
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9a149e4cfb
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Fixed selection weight on slaves
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2019-11-19 18:59:34 +01:00 |
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d00f55c28a
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Update EZFIO
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2019-10-27 23:48:25 +01:00 |
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Emmanuel Giner LCT
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4257399ca9
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Compatibility with EZFIO v1.6.0
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2019-10-24 21:41:54 +02:00 |
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Emmanuel Giner LCT
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40239f100c
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Merge alors
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2019-10-24 13:56:53 +02:00 |
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Emmanuel Giner LCT
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502e787323
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added general svd for new mo
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2019-10-24 13:44:40 +02:00 |
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e61cf32ea3
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Force GCC for dependencies
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2019-10-21 17:40:54 +02:00 |
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