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quantum_package/plugins/dress_zmq/EZFIO.cfg.example

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Fixed Travis
2018-02-27 18:43:07 +01:00
[thresh_dressed_ci]
type: Threshold
doc: Threshold on the convergence of the dressed CI energy
interface: ezfio,provider,ocaml
default: 1.e-5
[n_it_max_dressed_ci]
type: Strictly_positive_int
doc: Maximum number of dressed CI iterations
interface: ezfio,provider,ocaml
default: 10
Squashed commit of the following: commit 96715abd7bc0645b994fc4fff1c764e7bec3042e Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Thu Sep 6 12:08:34 2018 +0200 Tasks commit e43b1e2faff5ad1ec4ecd2eb99e8d86e0000a9a2 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Thu Sep 6 11:47:02 2018 +0200 Fixed print commit c498c8944b5695b953909711a2e9a542e1bc6015 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Thu Sep 6 11:11:51 2018 +0200 PT2 and shiftedBk fixed commit 965cf0361d54df096c9bfca93f9d50ecd946c198 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Wed Sep 5 18:48:59 2018 +0200 Shifted Bk multistate broken commit 87ef641b65a122fa1256605cbe098c1a0de04bc0 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Wed Sep 5 17:23:38 2018 +0200 PT2 fixed commit a2adb533bcaf96191a24ff5fcef86cd14ac00697 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Wed Sep 5 16:55:05 2018 +0200 Working on PT2 (broken) commit 33f52991b65ac42ced5521ef0e713df765268860 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Wed Sep 5 12:13:23 2018 +0200 Fixed missing argument commit 712bf75f76421880299dc65b30acfda3d531f709 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Wed Sep 5 11:42:31 2018 +0200 Fixed floating invalid in PT2 commit cf2412ebd99f9acf573a5180603611f1c3e35155 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Wed Sep 5 11:34:37 2018 +0200 n_states_diag >= n_states commit bb415435e4d9be72a285ec789c3d63046a9173e4 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Wed Sep 5 11:23:41 2018 +0200 Fixed final print commit f2d339cf7b3535359bfc9d3057225b5957cf9e16 Merge: cfa8e1dc 52ca18c1 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 20:51:14 2018 +0200 Merge branch 'thesis' of ssh://github.com/garniron/quantum_package into thesis commit cfa8e1dc34c78f666aad677d2362a0b23e738e55 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 20:50:09 2018 +0200 restored relative_error commit bccad69c7785d79eb079bd15cd8d7143503ba9b5 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 20:47:11 2018 +0200 uninitialized variable commit 52ca18c1525cbe51f290813a4706928f227af142 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 20:47:11 2018 +0200 uninitialized variable commit ba0094f5f88153da295f479568bea9c6f494098c Merge: 093e3fd0 68458296 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 20:07:15 2018 +0200 merge with garniroy commit 68458296dcc86c57bab25582e138ae057a66f019 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Tue Sep 4 18:43:39 2018 +0200 Almost working but still broken commit 9ebb88cbf32eed90ed2c1ff985128f271bcc1c15 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Tue Sep 4 18:05:00 2018 +0200 Cleaning commit 873035e01635a1a0576cc0e8bf834beb3c60fc80 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Tue Sep 4 17:31:45 2018 +0200 Squashed commit of the following: commit 4b9c435dce0f3b3078d573e66fd32b40fca26497 Merge: 74e559c8 093e3fd0 Author: Anthony Scemama <scemama@irsamc.ups-tlse.fr> Date: Tue Sep 4 16:58:51 2018 +0200 Merge branch 'thesis' of git://github.com/garniron/quantum_package into garniron-thesis commit 093e3fd021ca5ed73fe3be530fa18e79ceb0085e Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 16:13:00 2018 +0200 removed ungodly hack commit 8529a0f3f66d2f1ba9d717b0de60b268a4a821a7 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:57:19 2018 +0200 reduced prints in pt2_stoch commit 03b8f353bd94b837c02e570a8d3fb68689003135 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:41:46 2018 +0200 teeth building check for pt2_stoch commit 0d91b9310a7d580e8bc97a6a0af7a62a8506f8c0 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:35:04 2018 +0200 timestamp of first pull commit 34d9fa01657ed5d159a1c62f8f24cdb266d48153 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:27:10 2018 +0200 potential numerical precision bug commit 9a0f900d8c57bcbca36a09c11616e234528e1643 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:09:51 2018 +0200 tests if teeth can be built commit dda0dc34df82a59fac3c3abb2b14943fdb23c0f8 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 17:48:04 2018 +0200 corrected pt2_find_sample commit a521f0cb82bd333ce9879b4dfd87ae1abcf2baaa Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 16:08:02 2018 +0200 tasks get by batches of Nproc commit 997a5a1265951394753d3154a6136ca40177ba8d Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 14:18:04 2018 +0200 buffered task_id send commit 99ea7948e0d58023f7ce02386014c8c3d493deb4 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 12:29:12 2018 +0200 unbalanced fragmentation commit abb3b7e08bebdcaf84208ebbe404441d3571b1f9 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 17:18:44 2018 +0200 overflow of pt2_J commit 8df49f394b588ca304ce2ee7d8f8095455573784 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 15:58:48 2018 +0200 removed useless computation of intermediate checkpoints commit 4ba5b79eb391819a4966c7cd19b2e2fdf2ed5129 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 15:50:14 2018 +0200 dressing only sent for chosen checkpoint commit a4a6a69459321b1b210c2f51ffbef4f792943919 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sat Sep 1 17:01:56 2018 +0200 cumulative dot_F commit 6a7f04cb79ec921d5829a011aa8d8b2ea224760d Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sat Sep 1 16:58:07 2018 +0200 simpler purge commit 168ca2f2e29b902ab37afc58672b678998f0212a Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 21:07:01 2018 +0200 task list optimized commit de4a0d0caf0e1d441e0244a9ba7c65ae535d58b1 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 18:57:03 2018 +0200 removed print commit fee31d4e3e70c2edf1aeda202d3f067eddc17532 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 18:56:23 2018 +0200 dress fragmentation commit 02893a419de07c922708fe8ee2b828d9ebfd2e9b Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 15:52:16 2018 +0200 bug in blocked search - replaced with thesis version commit bb6e073cf10039f8a333d120b88dda109169528b Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 21:24:45 2018 +0200 ungodly hack to prevent double providing commit 0609e8c627ea7bf88d617e45dffeb64c9aea37b6 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 20:52:05 2018 +0200 debugging commit a254fdd7cffd8348846c910f240965104c969a09 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 15:24:07 2018 +0200 parallel bug commit 2a6c1941d45be78083ec8c1dccb453f51a12c338 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 11:43:11 2018 +0200 corrected when relative_error=0d0 commit bac039bdf1bd00673c0795b1cb23adb593e9d426 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 10:58:17 2018 +0200 relative error 1d-5 commit aae9d203ecbf8d53accc6bc35c2ab56aeeae78a6 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 10:07:02 2018 +0200 potential fragmentation bug commit ad69f39f99d0b0dd73f556fb13d1d55337c5b066 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Wed Aug 29 20:54:58 2018 +0200 dress_zmq re-implemented commit d78f64732a5493d7f10c7c80b564005e63a133fc Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Wed Aug 29 11:30:19 2018 +0200 pt2_stoch re-implemented commit 4b9b54e19ac7459589681e5ff7aa358dde9f5fd5 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Aug 28 10:24:38 2018 +0200 removed test for phase_mask_bit commit 3abccca5e35948e54a659cacccea42fbfcf4c296 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 3 23:44:05 2018 +0200 phasemask_bit commit 093e3fd021ca5ed73fe3be530fa18e79ceb0085e Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 16:13:00 2018 +0200 removed ungodly hack commit 8529a0f3f66d2f1ba9d717b0de60b268a4a821a7 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:57:19 2018 +0200 reduced prints in pt2_stoch commit 03b8f353bd94b837c02e570a8d3fb68689003135 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:41:46 2018 +0200 teeth building check for pt2_stoch commit 0d91b9310a7d580e8bc97a6a0af7a62a8506f8c0 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:35:04 2018 +0200 timestamp of first pull commit 34d9fa01657ed5d159a1c62f8f24cdb266d48153 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:27:10 2018 +0200 potential numerical precision bug commit 9a0f900d8c57bcbca36a09c11616e234528e1643 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Sep 4 14:09:51 2018 +0200 tests if teeth can be built commit dda0dc34df82a59fac3c3abb2b14943fdb23c0f8 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 17:48:04 2018 +0200 corrected pt2_find_sample commit a521f0cb82bd333ce9879b4dfd87ae1abcf2baaa Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 16:08:02 2018 +0200 tasks get by batches of Nproc commit 997a5a1265951394753d3154a6136ca40177ba8d Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 14:18:04 2018 +0200 buffered task_id send commit 99ea7948e0d58023f7ce02386014c8c3d493deb4 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Mon Sep 3 12:29:12 2018 +0200 unbalanced fragmentation commit abb3b7e08bebdcaf84208ebbe404441d3571b1f9 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 17:18:44 2018 +0200 overflow of pt2_J commit 8df49f394b588ca304ce2ee7d8f8095455573784 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 15:58:48 2018 +0200 removed useless computation of intermediate checkpoints commit 4ba5b79eb391819a4966c7cd19b2e2fdf2ed5129 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sun Sep 2 15:50:14 2018 +0200 dressing only sent for chosen checkpoint commit a4a6a69459321b1b210c2f51ffbef4f792943919 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sat Sep 1 17:01:56 2018 +0200 cumulative dot_F commit 6a7f04cb79ec921d5829a011aa8d8b2ea224760d Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Sat Sep 1 16:58:07 2018 +0200 simpler purge commit 168ca2f2e29b902ab37afc58672b678998f0212a Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 21:07:01 2018 +0200 task list optimized commit de4a0d0caf0e1d441e0244a9ba7c65ae535d58b1 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 18:57:03 2018 +0200 removed print commit fee31d4e3e70c2edf1aeda202d3f067eddc17532 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 18:56:23 2018 +0200 dress fragmentation commit 02893a419de07c922708fe8ee2b828d9ebfd2e9b Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 31 15:52:16 2018 +0200 bug in blocked search - replaced with thesis version commit bb6e073cf10039f8a333d120b88dda109169528b Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 21:24:45 2018 +0200 ungodly hack to prevent double providing commit 0609e8c627ea7bf88d617e45dffeb64c9aea37b6 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 20:52:05 2018 +0200 debugging commit a254fdd7cffd8348846c910f240965104c969a09 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 15:24:07 2018 +0200 parallel bug commit 2a6c1941d45be78083ec8c1dccb453f51a12c338 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 11:43:11 2018 +0200 corrected when relative_error=0d0 commit bac039bdf1bd00673c0795b1cb23adb593e9d426 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 10:58:17 2018 +0200 relative error 1d-5 commit aae9d203ecbf8d53accc6bc35c2ab56aeeae78a6 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Thu Aug 30 10:07:02 2018 +0200 potential fragmentation bug commit ad69f39f99d0b0dd73f556fb13d1d55337c5b066 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Wed Aug 29 20:54:58 2018 +0200 dress_zmq re-implemented commit d78f64732a5493d7f10c7c80b564005e63a133fc Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Wed Aug 29 11:30:19 2018 +0200 pt2_stoch re-implemented commit 4b9b54e19ac7459589681e5ff7aa358dde9f5fd5 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Tue Aug 28 10:24:38 2018 +0200 removed test for phase_mask_bit commit 3abccca5e35948e54a659cacccea42fbfcf4c296 Author: Yann Garniron <yann.garniron@yahoo.fr> Date: Fri Aug 3 23:44:05 2018 +0200 phasemask_bit
2018-09-06 15:19:51 +02:00
[dress_relative_error]
type: Normalized_float
doc: Stop stochastic PT2 when the relative error is smaller than PT2_relative_error
interface: ezfio,provider,ocaml
default: 0.001
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