| HEAD | d1a3f67 | Merge branch 'dev' | 23 November 2020, 15:05:29 UTC |
| refs/heads/bg_mrcc | 69375fe | Merge branch 'style_impro' | 30 May 2017, 11:40:30 UTC |
| refs/heads/bg_pyscf | 207e87f | fix restart bug related to new kernel structure | 22 July 2017, 20:37:47 UTC |
| refs/heads/bookkeeping | fce83fe | bug fix for occ-only or virt-only reference spaces | 20 November 2020, 11:10:57 UTC |
| refs/heads/cfour_casci | 048ec7f | do not reorder tuples in mbe | 26 June 2019, 08:33:12 UTC |
| refs/heads/change_phases | bd637b2 | bump version from 0.5 to 0.6 | 10 April 2017, 12:26:42 UTC |
| refs/heads/dev | 684adbe | Merge branch 'dev' into 'dev' Add sum and rnd screening functions and modified rdm12 screening. See merge request januseriksen/pymbe!28 | 30 May 2022, 12:42:18 UTC |
| refs/heads/dual_exp | b54d6b8 | symmetry also for open-shell | 07 November 2017, 10:28:06 UTC |
| refs/heads/dynamic_orbs | 024eb3f | Merge branch 'dev' into dynamic_orbs | 20 March 2019, 12:39:38 UTC |
| refs/heads/e_contrib_plot | 1e71367 | orb_con_plot + new orb_con_abs/rel lists in place. | 10 February 2017, 11:33:28 UTC |
| refs/heads/ecc_cfour | aa8cf98 | move to ECC + introduce T3_EXTRAPOL=ON for CCSDT | 04 May 2017, 21:51:47 UTC |
| refs/heads/energy_corr | 3d19f19 | added header for reference calculation | 08 February 2017, 08:26:12 UTC |
| refs/heads/energy_est | 33df5f2 | make python 3.+ changes. | 30 January 2017, 11:21:09 UTC |
| refs/heads/impr_get_dim | 5871e39 | changed determination of nocc | 24 March 2017, 10:00:17 UTC |
| refs/heads/impr_mpi_scheme | 012c561 | finish up clean-up. | 21 February 2017, 16:01:34 UTC |
| refs/heads/impr_mpi_timings | 2a9c926 | polish | 24 February 2017, 13:10:02 UTC |
| refs/heads/master | d1a3f67 | Merge branch 'dev' | 23 November 2020, 15:05:29 UTC |
| refs/heads/miscellaneous | f4011b2 | bugfix for piping of stdout to stdout.out | 15 February 2017, 08:43:23 UTC |
| refs/heads/mo_ints | 1ee4082 | pep-8 | 21 May 2019, 14:54:46 UTC |
| refs/heads/mp2 | f9ef68e | Merge branch 'master' into dev | 18 November 2019, 22:38:48 UTC |
| refs/heads/mpi_energy | 48dbc48 | improve load balancing for energy est. | 02 February 2017, 12:28:47 UTC |
| refs/heads/mpi_improvements | 7ba618b | Merge branch 'mpi_improvements' of gitlab.com:januseriksen/bg-corr into mpi_improvements | 10 March 2017, 21:29:57 UTC |
| refs/heads/mpi_plot | 49d19e3 | in energy_summation_par: do explicit Reduce+Bcast instead of Allreduce | 24 February 2017, 23:07:20 UTC |
| refs/heads/mpi_time | 23d7d55 | impl. new mpi_time_plot and added mpi timingss to print-out | 10 February 2017, 15:14:34 UTC |
| refs/heads/natural_orbs | 292defc | impl. option to use mp2 nat. orbs. - default is OFF | 22 March 2017, 18:54:08 UTC |
| refs/heads/new_bg_order | 8dab373 | impl. first take on mpi version of energy_summation. | 17 February 2017, 15:15:28 UTC |
| refs/heads/new_data_struct | 9eb69ff | small cosmetic change | 20 February 2017, 14:13:52 UTC |
| refs/heads/new_orb_generator | fa29489 | polish of mpi impl. of orb_generation. | 17 February 2017, 07:52:26 UTC |
| refs/heads/new_screen | 370d598 | polish | 13 February 2020, 10:17:43 UTC |
| refs/heads/norm_dist_screen | bc9093a | impl. prim_e_thres | 21 March 2017, 08:14:48 UTC |
| refs/heads/open_source | 45daaf6 | update doctests | 02 October 2019, 12:49:11 UTC |
| refs/heads/orbital_screening | 43029c8 | changed 'core' to 'ncore' internally in the code. | 17 January 2017, 08:17:29 UTC |
| refs/heads/qcscf | 199b595 | Merge branch 'natural_orbs' | 22 March 2017, 18:55:12 UTC |
| refs/heads/remove_energy_corr | 66738b8 | bump prog. version from 0.6 to 0.7 | 10 April 2017, 13:33:31 UTC |
| refs/heads/restart_utils | cfb45b9 | bump program version from 0.4 to 0.5 | 29 March 2017, 12:30:47 UTC |
| refs/heads/rm_orb_ent | 8ee221f | removed (unused) orb_ent routines | 24 July 2017, 10:45:15 UTC |
| refs/heads/rm_timings | 8f0d956 | fix to rst and collected results in one routine | 27 July 2017, 13:05:34 UTC |
| refs/heads/screen_tuple | e6d5818 | also change the updating of thres in the rst files | 18 April 2017, 08:43:22 UTC |
| refs/heads/shared_mem | fb0102c | Merge branch 'shared_mem' of gitlab.com:januseriksen/pymbe into shared_mem | 28 September 2019, 22:29:53 UTC |
| refs/heads/sparsity | b7d6235 | update runtests | 09 March 2020, 12:49:21 UTC |
| refs/heads/style_impro | a666b2a | further polish to bg_summary | 29 May 2017, 11:26:43 UTC |
| refs/merge-requests/1/head | 43029c8 | changed 'core' to 'ncore' internally in the code. | 17 January 2017, 08:17:29 UTC |
| refs/merge-requests/10/head | 9eb69ff | small cosmetic change | 20 February 2017, 14:13:52 UTC |
| refs/merge-requests/11/head | 012c561 | finish up clean-up. | 21 February 2017, 16:01:34 UTC |
| refs/merge-requests/12/head | 2a9c926 | polish | 24 February 2017, 13:10:02 UTC |
| refs/merge-requests/13/head | 5b56530 | Added debug printing and target assertions for ecc | 06 January 2021, 10:36:08 UTC |
| refs/merge-requests/13/merge | d30c5e3 | Merge branch 'cfour_interface' into 'dev' WIP: CFOUR Interface See merge request januseriksen/pymbe!13 | 06 January 2021, 10:37:13 UTC |
| refs/merge-requests/14/head | e357add | Updated path due to mbecc update. | 21 March 2021, 21:26:55 UTC |
| refs/merge-requests/14/merge | a3b2465 | Merge branch 'dev' into 'dev' Add support for ncc backend and CCSDTQ for mbecc and base model calculations See merge request januseriksen/pymbe!14 | 12 April 2021, 13:02:24 UTC |
| refs/merge-requests/15/head | 5030f38 | Add point groups to pymbe.results and allow bool. | 13 April 2021, 14:03:57 UTC |
| refs/merge-requests/15/merge | ab7bdf6 | Merge branch 'dev' into 'dev' WIP: Non-Abelian point groups See merge request januseriksen/pymbe!15 | 13 April 2021, 14:04:14 UTC |
| refs/merge-requests/16/head | 1b5b9dc | Only raise cclib error when interface is used. | 13 April 2021, 15:39:27 UTC |
| refs/merge-requests/16/merge | 65f5ea5 | Merge branch 'lazy_import' into 'dev' Remove cclib error message when interface is not used. See merge request januseriksen/pymbe!16 | 13 April 2021, 18:13:37 UTC |
| refs/merge-requests/17/head | 4d81534 | Change natural keys regex to raw string. | 08 October 2021, 13:32:58 UTC |
| refs/merge-requests/17/merge | 6ab37c1 | Merge branch 'dev' into 'dev' Higher Amplitude CC DIIS Extrapolation See merge request januseriksen/pymbe!17 | 17 October 2021, 10:45:04 UTC |
| refs/merge-requests/18/head | 818c901 | Removed unnecessary imports. | 11 October 2021, 07:41:38 UTC |
| refs/merge-requests/18/merge | 3cb5a1a | Merge branch 'testsuite' into 'dev' Testsuite See merge request januseriksen/pymbe!18 | 19 October 2021, 13:47:09 UTC |
| refs/merge-requests/19/head | 498abf1 | Add needs to stages to make them run concurrently. | 19 October 2021, 14:00:40 UTC |
| refs/merge-requests/19/merge | 1d950ad | Merge branch 'dev' into 'dev' Testsuite See merge request januseriksen/pymbe!19 | 19 October 2021, 14:05:02 UTC |
| refs/merge-requests/2/head | 33df5f2 | make python 3.+ changes. | 30 January 2017, 11:21:09 UTC |
| refs/merge-requests/20/head | efeb3be | Removed unnecessary typing import. | 24 January 2022, 21:08:44 UTC |
| refs/merge-requests/21/head | 5eb5bdd | Add warning for open-shell cc calcs. | 02 February 2022, 13:46:44 UTC |
| refs/merge-requests/21/merge | 310e83d | Merge branch 'dev' into 'dev' Draft: Fixes and tests for open-shell calculations See merge request januseriksen/pymbe!21 | 02 February 2022, 13:46:54 UTC |
| refs/merge-requests/22/head | ba9cfa6 | Standardized formatting and changed .format to f-strings. | 09 February 2022, 08:52:59 UTC |
| refs/merge-requests/22/merge | 8418983 | Merge branch 'dev' into 'dev' Standardized formatting and changed .format() to f-strings. See merge request januseriksen/pymbe!22 | 09 February 2022, 08:56:47 UTC |
| refs/merge-requests/23/head | 15e6026 | Use np.sum for increment summation. | 17 February 2022, 15:23:57 UTC |
| refs/merge-requests/23/merge | 876b2fd | Merge branch 'dev' into 'dev' Various small bug fixes See merge request januseriksen/pymbe!23 | 27 February 2022, 13:30:08 UTC |
| refs/merge-requests/24/head | 7dd1ff6 | Sped up mbecc calculations with pyscf backend. | 12 March 2022, 17:25:35 UTC |
| refs/merge-requests/24/merge | f6a636d | Merge branch 'rdm' into 'dev' Draft: Add RDM targets See merge request januseriksen/pymbe!24 | 12 March 2022, 17:26:14 UTC |
| refs/merge-requests/25/head | 870450c | Removed spin, nocc and occup kw in favor of nelec. | 17 March 2022, 16:19:03 UTC |
| refs/merge-requests/25/merge | 7e012e9 | Merge branch 'dev' into 'dev' Removed spin, nocc and occup keywords in favor of nelec See merge request januseriksen/pymbe!25 | 17 March 2022, 16:26:54 UTC |
| refs/merge-requests/26/head | e2d95fb | Removed vhf, hf_prop, nuc_energy and nuc_dipole as inputs. | 09 May 2022, 12:02:43 UTC |
| refs/merge-requests/26/merge | c838f53 | Merge branch 'dev' into 'dev' Remove unnecessary keywords See merge request januseriksen/pymbe!26 | 09 May 2022, 12:07:50 UTC |
| refs/merge-requests/27/head | 2882841 | Bugfix for hf 2-rdm. | 12 May 2022, 11:00:04 UTC |
| refs/merge-requests/27/merge | aa52bad | Merge branch 'dev' into 'dev' Bugfix for HF 2-RDM See merge request januseriksen/pymbe!27 | 12 May 2022, 11:03:11 UTC |
| refs/merge-requests/28/head | 43a750a | Added sum and rnd screening functions and modified rdm12 screening. | 23 May 2022, 11:40:18 UTC |
| refs/merge-requests/28/merge | f160d21 | Merge branch 'dev' into 'dev' Add sum and rnd screening functions and modified rdm12 screening. See merge request januseriksen/pymbe!28 | 23 May 2022, 11:45:19 UTC |
| refs/merge-requests/3/head | 48dbc48 | improve load balancing for energy est. | 02 February 2017, 12:28:47 UTC |
| refs/merge-requests/4/head | 3d19f19 | added header for reference calculation | 08 February 2017, 08:26:12 UTC |
| refs/merge-requests/5/head | 1e71367 | orb_con_plot + new orb_con_abs/rel lists in place. | 10 February 2017, 11:33:28 UTC |
| refs/merge-requests/6/head | 23d7d55 | impl. new mpi_time_plot and added mpi timingss to print-out | 10 February 2017, 15:14:34 UTC |
| refs/merge-requests/7/head | f4011b2 | bugfix for piping of stdout to stdout.out | 15 February 2017, 08:43:23 UTC |
| refs/merge-requests/8/head | fa29489 | polish of mpi impl. of orb_generation. | 17 February 2017, 07:52:26 UTC |
| refs/merge-requests/9/head | 8dab373 | impl. first take on mpi version of energy_summation. | 17 February 2017, 15:15:28 UTC |
