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TApplencourt-patch-1

biblio

bugfix

cleaning_dft

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csf

daily-test

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dev-stable

dev-stable-pt-charges

dev-stable-rdm

dev-stable-tc-scf

dev-tc

features_casscf

features_kpts

features_periodic

features_spack

gh-pages

good-dev-tc

guix

kgasperich-patch-1

kgasperich-patch-2

kpts-patch-1

macos

master

torus

trexio

v1j4y-patch-2

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v2.0.0-beta

v2.1.1

v2.2.2

Mono Color

• 82b6bccc37 printing Kevin Gasperich 2020-03-12 18:02:03 -0500
• d44a22f3d8 fix bitmask for kpoint ordered MOs Kevin Gasperich 2020-03-12 16:09:00 -0500
• 7be57b7a14 read complex orbitals Kevin Gasperich 2020-03-12 16:07:28 -0500
• 120e421239 updated converter Kevin Gasperich 2020-03-12 16:06:31 -0500
• 01360efd84 working on converter Kevin Gasperich 2020-03-11 17:44:47 -0500
• b0bf0c79d6 removed unused functions from converter Kevin Gasperich 2020-03-11 15:16:58 -0500
• f07bdee9cd converter cleanup Kevin Gasperich 2020-03-11 13:48:35 -0500
• 8411167e90 cleaning up converter Kevin Gasperich 2020-03-10 18:10:55 -0500
• d9e2024554 Cleaning in CIPSI Anthony Scemama 2020-03-07 11:40:42 +0100
• 77ca529072 Perturbation type Anthony Scemama 2020-03-06 18:12:04 +0100
• c5726abb13 wrong types Kevin Gasperich 2020-03-06 11:09:29 -0600
• 7145a7d916 fixed wrong types Kevin Gasperich 2020-03-06 09:00:30 -0600
• 22e54cecd1 Fixed broken filter_integrals in h_apply Anthony Scemama 2020-03-06 15:47:33 +0100
• 8bfac5669a fixed complex kind Kevin Gasperich 2020-03-06 08:46:10 -0600
• fa258a9bf0 Merge localhost:qp2 into dev Anthony Scemama 2020-03-06 13:56:10 +0100
• 2d81db3911 More stable SCF Anthony Scemama 2020-03-06 13:55:37 +0100
• 5951d4338a More robust SCF Anthony Scemama 2020-03-06 13:36:46 +0100
• bb8d52fc69 cleanup Kevin Gasperich 2020-03-05 15:57:40 -0600
• 046c71feca complex davidson Kevin Gasperich 2020-03-05 14:26:15 -0600
• bc04139a54 Started working on OCaml. Need to go further for qp_edit Anthony Scemama 2020-03-05 16:19:20 +0100
• df4c9431d0 Fixed compilation problems Anthony Scemama 2020-03-05 15:53:45 +0100
• ac35c8dbbb Added f77_zmq_free.h for gfortran Anthony Scemama 2020-03-05 14:19:43 +0100
• f79d5fbeb5 Flags for AMD Anthony Scemama 2020-03-05 09:36:52 +0100
• 717b35cf38 Renaming complex -> cplx Anthony Scemama 2020-03-05 09:06:29 +0100
• d19aee172c Renamed variables with too long names Anthony Scemama 2020-03-05 09:00:14 +0100
• 28578c0562 use zmq_f77_free.h Anthony Scemama 2020-03-05 08:51:39 +0100
• d6fb0f63fe complex cleanup Kevin Gasperich 2020-03-04 18:20:03 -0600
• 5b214ac3c1 finished complex selection Kevin Gasperich 2020-03-04 18:00:54 -0600
• 10fc3a6fc4 working on complex selection Kevin Gasperich 2020-03-03 18:45:24 -0600
• 299243e2ce working on complex cipsi Kevin Gasperich 2020-03-03 17:48:46 -0600
• 6ac5eb6da9 Work in progress Anthony Scemama 2020-03-03 15:49:45 +0100
• 17b9b423a9 working on complex cipsi Kevin Gasperich 2020-02-27 18:46:22 -0600
• 85b9e5ba75 print pt2 in qedump Kevin Gasperich 2020-02-27 17:13:01 -0600
• 882a8fd100 Update configure Anthony Scemama 2020-02-27 11:47:30 +0100
• 98b36f1185 configure Anthony Scemama 2020-02-27 10:34:04 +0100
• a712441069 Merge branch 'dev' into features_spack Anthony Scemama 2020-02-27 10:19:40 +0100
• 4741f2f544 Blanks at end of line Anthony Scemama 2020-02-27 10:16:27 +0100
• 20d5bcd9d5 working on complex cipsi Kevin Gasperich 2020-02-26 17:01:41 -0600
• eac877dd44 Removed dead code Anthony Scemama 2020-02-26 23:30:38 +0100
• cfb05570eb
  qedump to generate inputs for quantumEnvelope Kevin Gasperich 2020-02-26 15:08:05 -0600
• 47d27186dc minor changes in complex davidson Kevin Gasperich 2020-02-26 13:35:51 -0600
• 6b3593bf74 complex diagonalize_ci Kevin Gasperich 2020-02-26 13:14:25 -0600
• 3cf55e2676 print_energy.irp.f Anthony Scemama 2020-02-26 15:58:14 +0100
• bfb3672e0e Merge branch 'dev' into features_spack Anthony Scemama 2020-02-26 10:55:40 +0100
• 8594f26e45 Merge branch 'dev' into features_periodic Anthony Scemama 2020-02-26 10:54:38 +0100
• cb0a9d2750 Merge branch 'master' into features_periodic Anthony Scemama 2020-02-26 10:46:31 +0100
• 273200c829 save before merge Anthony Scemama 2020-02-26 10:44:40 +0100
• 547fea1d58 Sorted and uniqued REPLACE file Anthony Scemama 2020-02-26 09:52:48 +0100
• e4734e9480 Removed old ZMQ-PT2 routines Anthony Scemama 2020-02-26 09:48:31 +0100
• 78545fe7cd Work in progress Anthony Scemama 2020-02-26 09:38:30 +0100
• 9ea4377f07 working on complex davidson Kevin Gasperich 2020-02-25 17:52:34 -0600
• 102d930452 complex qr Kevin Gasperich 2020-02-25 16:19:07 -0600
• f869d347b8 working on complex davidson Kevin Gasperich 2020-02-25 13:09:15 -0600
• 5418ed0f1c notes Kevin Gasperich 2020-02-25 10:27:08 -0600
• 7e3e2b9db9 minor Kevin Gasperich 2020-02-25 10:26:53 -0600
• f7a7ba2a3e started complex h_apply Kevin Gasperich 2020-02-25 09:11:16 -0600
• fd55b57ed7 Rewrote configure Anthony Scemama 2020-02-25 10:50:10 +0100
• 94bd90462e Added spack submodule Anthony Scemama 2020-02-25 09:11:32 +0100
• 01d6d5acbc complex nos Kevin Gasperich 2020-02-24 18:12:30 -0600
• 338e793ed6 complex zmq determinants Kevin Gasperich 2020-02-24 16:36:56 -0600
• 3982ee4479 s2 complex Kevin Gasperich 2020-02-24 15:57:20 -0600
• dffd10375b wee complex slater rules Kevin Gasperich 2020-02-24 15:11:13 -0600
• ed5a9fa404 finished complex slater rules Kevin Gasperich 2020-02-24 15:02:05 -0600
• a2b662d795 i_h_j_single_spin_complex Kevin Gasperich 2020-02-24 14:54:48 -0600
• 7d55f314a4 i_h_psi_minilist_complex Kevin Gasperich 2020-02-24 14:53:22 -0600
• 6584bd46db i_h_psi_complex Kevin Gasperich 2020-02-24 14:50:06 -0600
• c2e1301f27 fixed orbital ordering for complex Kevin Gasperich 2020-02-24 14:43:01 -0600
• 953cf04616 separated psi_coef_min/max from abs_psi_coef_min/max Kevin Gasperich 2020-02-24 13:38:49 -0600
• 315ad54dc7 separated providers for sorted wfn Kevin Gasperich 2020-02-24 13:28:29 -0600
• d2f09a7464 Default rc Anthony Scemama 2020-02-24 20:02:09 +0100
• 7db223f6f3 minor changes Kevin Gasperich 2020-02-24 11:34:52 -0600
• 0ba82990ff fixed wrong index type Kevin Gasperich 2020-02-24 11:34:31 -0600
• a59f1e9576 fixed complex sort template Kevin Gasperich 2020-02-24 11:34:07 -0600
• 29670d4729 fixed typo Kevin Gasperich 2020-02-24 11:19:45 -0600
• 1fc25159a0 complex slater rules Kevin Gasperich 2020-02-24 08:12:31 -0600
• 0e31cfee7f complex slater_rules_wee_mono Kevin Gasperich 2020-02-23 16:40:26 -0600
• 5ee3fc6e43 complex determinants Kevin Gasperich 2020-02-23 16:23:50 -0600
• 156be3b1bb minor changes Kevin Gasperich 2020-02-23 16:05:23 -0600
• 6d12abf088 working on complex determinants Kevin Gasperich 2020-02-21 15:54:48 -0600
• 656d8c2365 Update config files Anthony Scemama 2020-02-21 11:28:18 +0100
• 702ba79af8 cleanup complex mo one e ints Kevin Gasperich 2020-02-20 15:38:02 -0600
• bcf824cc18 providers for diag one elec mo ints Kevin Gasperich 2020-02-20 15:22:03 -0600
• 1c838a30d6 working on complex determinants Kevin Gasperich 2020-02-20 14:56:47 -0600
• e675192775 Separated opam packages and ocaml in configure Anthony Scemama 2020-02-20 21:05:52 +0100
• a05ee8f97a Merge branch 'master' into features_spack Anthony Scemama 2020-02-20 20:56:36 +0100
• f30f6688e5 Merge branch 'daily-test' of github.com:QuantumPackage/qp2 into daily-test daily-test Anthony Scemama 2020-02-20 20:55:02 +0100
• dcbd24c68f Merge branch 'master' into daily-test Anthony Scemama 2020-02-20 20:54:30 +0100
• 6676c9fa7b Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev Anthony Scemama 2020-02-20 20:53:20 +0100
• 5c404a21d9 Merge branch 'master' into dev Anthony Scemama 2020-02-20 20:51:32 +0100
• 08f3ba0d54
  Merge pull request #87 from QuantumPackage/features_ezfio_inside 2.1.2 Anthony Scemama 2020-02-20 20:07:57 +0100
• 95d650cb17
  Merge pull request #86 from QuantumPackage/kgasperich-patch-1 Anthony Scemama 2020-02-20 20:02:35 +0100
• 38a92488f6
  Update occ_pattern.irp.f Kevin Gasperich 2020-02-20 12:49:34 -0600
• 1e336c77c6 Fixed EZFIO installation Anthony Scemama 2020-02-20 19:41:30 +0100
• d7978912bd Added the tgz of EZFIO for simplicity Anthony Scemama 2020-02-20 19:33:42 +0100
• 20060d508c Working on Spack packaging Anthony Scemama 2020-02-20 19:28:03 +0100
• 5c66e4b99f complex determinants Kevin Gasperich 2020-02-19 17:59:27 -0600
• c0ee3714e6 complex determinants Kevin Gasperich 2020-02-19 14:55:00 -0600
• 31e04c2ab6 complex determinants Kevin Gasperich 2020-02-19 14:30:39 -0600
• ce87a62086 starting complex determinants Kevin Gasperich 2020-02-19 12:47:22 -0600
• 9843df68c4 notes Kevin Gasperich 2020-02-19 12:37:37 -0600