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ac35c8dbbb
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Added f77_zmq_free.h for gfortran
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2020-03-05 14:19:43 +01:00 |
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f79d5fbeb5
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Flags for AMD
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2020-03-05 09:36:52 +01:00 |
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717b35cf38
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Renaming complex -> cplx
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2020-03-05 09:06:29 +01:00 |
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d19aee172c
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Renamed variables with too long names
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2020-03-05 09:00:45 +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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Kevin Gasperich
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d6fb0f63fe
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complex cleanup
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2020-03-04 18:20:03 -06:00 |
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Kevin Gasperich
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5b214ac3c1
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finished complex selection
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2020-03-04 18:00:54 -06:00 |
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Kevin Gasperich
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10fc3a6fc4
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working on complex selection
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2020-03-03 18:45:24 -06:00 |
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Kevin Gasperich
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299243e2ce
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working on complex cipsi
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2020-03-03 17:48:46 -06:00 |
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Kevin Gasperich
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17b9b423a9
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working on complex cipsi
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2020-02-27 18:46:22 -06:00 |
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4741f2f544
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Blanks at end of line
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2020-02-27 10:16:27 +01:00 |
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Kevin Gasperich
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20d5bcd9d5
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working on complex cipsi
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2020-02-26 17:01:41 -06:00 |
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eac877dd44
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Removed dead code
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2020-02-26 23:30:38 +01:00 |
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Kevin Gasperich
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47d27186dc
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minor changes in complex davidson
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2020-02-26 13:35:51 -06:00 |
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Kevin Gasperich
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6b3593bf74
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complex diagonalize_ci
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2020-02-26 13:14:25 -06:00 |
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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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8594f26e45
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Merge branch 'dev' into features_periodic
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2020-02-26 10:54:38 +01:00 |
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cb0a9d2750
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Merge branch 'master' into features_periodic
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2020-02-26 10:46:31 +01:00 |
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273200c829
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save before merge
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2020-02-26 10:44:40 +01:00 |
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547fea1d58
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Sorted and uniqued REPLACE file
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2020-02-26 09:52:48 +01:00 |
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e4734e9480
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Removed old ZMQ-PT2 routines
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2020-02-26 09:48:31 +01:00 |
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Kevin Gasperich
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9ea4377f07
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working on complex davidson
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2020-02-25 17:52:34 -06:00 |
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Kevin Gasperich
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102d930452
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complex qr
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2020-02-25 16:19:07 -06:00 |
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Kevin Gasperich
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f869d347b8
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working on complex davidson
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2020-02-25 13:09:15 -06:00 |
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Kevin Gasperich
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5418ed0f1c
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notes
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2020-02-25 10:27:08 -06:00 |
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Kevin Gasperich
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7e3e2b9db9
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minor
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2020-02-25 10:26:53 -06:00 |
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Kevin Gasperich
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f7a7ba2a3e
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started complex h_apply
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2020-02-25 09:11:16 -06:00 |
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Kevin Gasperich
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01d6d5acbc
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complex nos
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2020-02-24 18:12:30 -06:00 |
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Kevin Gasperich
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338e793ed6
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complex zmq determinants
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2020-02-24 16:36:56 -06:00 |
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Kevin Gasperich
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3982ee4479
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s2 complex
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2020-02-24 15:57:20 -06:00 |
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Kevin Gasperich
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dffd10375b
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wee complex slater rules
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2020-02-24 15:11:13 -06:00 |
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Kevin Gasperich
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ed5a9fa404
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finished complex slater rules
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2020-02-24 15:02:05 -06:00 |
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Kevin Gasperich
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a2b662d795
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i_h_j_single_spin_complex
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2020-02-24 14:54:48 -06:00 |
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Kevin Gasperich
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7d55f314a4
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i_h_psi_minilist_complex
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2020-02-24 14:53:22 -06:00 |
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Kevin Gasperich
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6584bd46db
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i_h_psi_complex
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2020-02-24 14:50:06 -06:00 |
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Kevin Gasperich
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c2e1301f27
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fixed orbital ordering for complex
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2020-02-24 14:43:01 -06:00 |
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Kevin Gasperich
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953cf04616
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separated psi_coef_min/max from abs_psi_coef_min/max
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2020-02-24 13:38:49 -06:00 |
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Kevin Gasperich
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315ad54dc7
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separated providers for sorted wfn
separate psi_coef_sorted and psi_coef_sorted_bit from linked providers
reuse same det_sorted and order for complex
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2020-02-24 13:28:29 -06:00 |
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Kevin Gasperich
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7db223f6f3
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minor changes
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2020-02-24 11:34:52 -06:00 |
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Kevin Gasperich
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0ba82990ff
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fixed wrong index type
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2020-02-24 11:34:31 -06:00 |
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Kevin Gasperich
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a59f1e9576
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fixed complex sort template
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2020-02-24 11:34:07 -06:00 |
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Kevin Gasperich
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29670d4729
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fixed typo
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2020-02-24 11:19:45 -06:00 |
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Kevin Gasperich
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1fc25159a0
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complex slater rules
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2020-02-24 08:12:31 -06:00 |
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Kevin Gasperich
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0e31cfee7f
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complex slater_rules_wee_mono
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2020-02-23 16:40:26 -06:00 |
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Kevin Gasperich
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5ee3fc6e43
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complex determinants
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2020-02-23 16:23:50 -06:00 |
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Kevin Gasperich
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156be3b1bb
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minor changes
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2020-02-23 16:05:23 -06:00 |
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Kevin Gasperich
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6d12abf088
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working on complex determinants
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2020-02-21 15:54:48 -06:00 |
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Kevin Gasperich
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702ba79af8
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cleanup complex mo one e ints
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2020-02-20 15:38:02 -06:00 |
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Kevin Gasperich
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bcf824cc18
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providers for diag one elec mo ints
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2020-02-20 15:22:03 -06:00 |
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Kevin Gasperich
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1c838a30d6
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working on complex determinants
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2020-02-20 14:56:47 -06:00 |
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