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a4a799837b
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Fix natorb with numerical integrals of Jastrow
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2023-10-13 15:10:51 +02:00 |
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106a2eafff
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Update qmckl
continuous-integration/drone/push Build is failing
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2023-10-06 11:46:24 +02:00 |
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145e18f394
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Fixed openmp bug
continuous-integration/drone/push Build is failing
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2023-09-26 18:39:13 +02:00 |
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4cbe630ec5
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Add many call provide in TC
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2023-09-22 16:26:58 +02:00 |
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c47a09f9c9
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Fix multiple qmckl or trexio installations
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2023-09-19 13:34:41 +02:00 |
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1f14e707b4
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Fix fortran mod file
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2023-09-19 11:32:27 +02:00 |
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2b3bf4fc00
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Installation of QMCkl
continuous-integration/drone/push Build is failing
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2023-09-18 18:14:04 +02:00 |
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df07c65980
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Fixed trexio installation
continuous-integration/drone/push Build is failing
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2023-05-14 10:07:50 +02:00 |
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a2627e7925
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Introduced TREXIO in QP
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2023-05-12 16:04:45 +02:00 |
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f0b71bc2b0
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Add libtrexio in configure
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2023-05-10 18:06:50 +02:00 |
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750ec9ca00
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Fix f77zmq
continuous-integration/drone/push Build is failing
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2023-04-19 09:31:36 +02:00 |
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c4445d9a61
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Fix qp2_dependencies branch
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2023-02-24 16:33:28 +01:00 |
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70726f73ab
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Updated dependencies + configure single branch
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2023-02-08 13:30:59 +01:00 |
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f92aa16dfd
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Force reinstallation of ocaml when configure -i
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2023-02-07 16:11:47 +01:00 |
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e71a3d8269
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Update for ARM: Use OPAMPACK
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2023-02-07 16:10:47 +01:00 |
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cf5e951311
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Force reinstallation of ocaml when configure -i
continuous-integration/drone/push Build is passing
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2023-02-06 18:15:35 +01:00 |
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4220e2cb9b
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Update for ARM: Use OPAMPACK
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2023-02-06 13:43:09 +01:00 |
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ed5419390c
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Update for bats 1.7
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2023-02-06 13:42:20 +01:00 |
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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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