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January 2024


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[git/cctbx_project] master: CI: exclude releases/* for XFEL CI branch (1ea7f1d2e6)

CCTBX commit

Wed, 31 Jan 2024 12:28:31 -0800

92 lines

[git/cctbx_project] tag 'v2024.1' created

CCTBX commit

Wed, 31 Jan 2024 11:47:26 -0800

40 lines

[git/cctbx_project] master: Update CHANGELOG.rst for 2024.1 release (7b67e41a4c)

CCTBX commit

Wed, 31 Jan 2024 11:47:26 -0800

96 lines

[git/cctbx_project] master: boost: switch auto_cpu_timer to cpu_timer for lbfgsb to avoid extra output line (67e1bb7d10)

CCTBX commit

Wed, 31 Jan 2024 11:00:01 -0800

90 lines

[git/cctbx_project] master: boost: switch deprecated boost/timer.hpp to boost/timer/timer.hpp (7e118e9b1e)

CCTBX commit

Tue, 30 Jan 2024 16:02:01 -0800

588 lines

[git/cctbx_project] master: Major updates to qscore. Extensive testing added. Still a work in progress. (7435a7279b)

CCTBX commit

Mon, 29 Jan 2024 13:07:21 -0800

79 lines

[git/cctbx_project] master: clean clutter (7a4a9a2400)

CCTBX commit

Mon, 29 Jan 2024 12:56:01 -0800

61 lines

[git/cctbx_project] master: diffBragg: set gpu device only in one place (41b8da0725)

CCTBX commit

Mon, 29 Jan 2024 12:54:25 -0800

125 lines

[git/cctbx_project] master: Update to ignore words that are part of another word (1113bdf7f5)

CCTBX commit

Mon, 29 Jan 2024 12:35:13 -0800

171 lines

[git/cctbx_project] master: Cleanup (e41a6e1357)

CCTBX commit

Mon, 29 Jan 2024 12:21:31 -0800

122 lines

[git/cctbx_project] master: Write output of pdbtools to mmcif if it does not fit in pdb format (cd93a5fb78)

CCTBX commit

Sat, 27 Jan 2024 12:42:12 -0800

130 lines

[git/cctbx_project] master: Print out problem category (82a3678137)

CCTBX commit

Sat, 27 Jan 2024 12:12:37 -0700

98 lines

[git/cctbx_project] master: Refactoring phenix.fmodel part1: more cleanup (39b0aa19e6)

CCTBX commit

Sat, 27 Jan 2024 10:39:09 -0800

167 lines

[git/cctbx_project] master: Refactoring phenix.fmodel part1: now a previously commented test works. Reactivating it. (640db5a71e)

CCTBX commit

Sat, 27 Jan 2024 10:37:01 -0800

139 lines

[git/cctbx_project] master: Refactoring phenix.fmodel part1: cleanup unused imports. (1119ec3534)

CCTBX commit

Sat, 27 Jan 2024 10:19:19 -0800

196 lines

[git/cctbx_project] master: Refactoring phenix.fmodel part1: code and tests (a bit more work needed in next round to clean up output scope) (51608ceb40)

CCTBX commit

Sat, 27 Jan 2024 09:48:24 -0800

2704 lines

[git/cctbx_project] master: Refactoring phenix.fmodel part1: code in mmtbx/programs (132c03938d)

CCTBX commit

Sat, 27 Jan 2024 09:48:24 -0800

1124 lines

[git/cctbx_project] master: Update find_pdb_mmcif_problems.py (c0dbcfa9d3)

CCTBX commit

Sat, 27 Jan 2024 09:46:44 -0800

93 lines

[git/cctbx_project] master: Add methods for finding code that may not deal with mmcif/pdb properly (a511a6cb4a)

CCTBX commit

Sat, 27 Jan 2024 10:18:51 -0700

1674 lines

[git/cctbx_project] master: Add tool to find instances of pdb-specific coding (da8a430bbe)

CCTBX commit

Fri, 26 Jan 2024 15:45:02 -0800

777 lines

[git/dxtbx] main: `FormatSMVTimePix_SU` mask out central cross of virtual pixels (#683) (3e5ac9b5)

DXTBX commit

Fri, 26 Jan 2024 11:29:27 +0000

193 lines

[git/dxtbx] main: Formats for the ELDICO ED-1 (#682) (33a7202e)

DXTBX commit

Fri, 26 Jan 2024 11:28:44 +0000

1224 lines

[git/cctbx_project] master: Add step of pre-filting the original P1 mask: remove regions that are large negative blobs of Fo-Fc (fba87ef54e)

CCTBX commit

Thu, 25 Jan 2024 18:04:33 -0800

221 lines

[git/cctbx_project] master: Cleanup caches before outputting mmCIF (eec9caaf15)

CCTBX commit

Wed, 24 Jan 2024 15:13:47 -0800

146 lines

[git/cctbx_project] master: CI: add syntax checks for Python 3.11 and 3.12 (4fcff33d81)

CCTBX commit

Wed, 24 Jan 2024 14:43:48 -0800

98 lines

[git/cctbx_project] master: iotbx: update hierachy pickling (f0f0a0b6bb)

CCTBX commit

Wed, 24 Jan 2024 13:39:56 -0800

119 lines

[git/cctbx_project] master: Updates to qscore code (0c22b185dc)

CCTBX commit

Wed, 24 Jan 2024 11:04:48 -0800

884 lines

[git/cctbx_project] master: Clean clutter (03bf7e2479)

CCTBX commit

Wed, 24 Jan 2024 01:07:34 -0800

131 lines

[git/cctbx_project] master: Major update to .geo parsing to expand compatibility to additional restraints. Also fixes a failing test (40f6d64cb5)

CCTBX commit

Tue, 23 Jan 2024 23:29:06 -0800

1747 lines

[git/cctbx_project] master: remove semis (a0f643f21c)

CCTBX commit

Tue, 23 Jan 2024 08:02:03 -0800

115 lines

[git/cctbx_project] master: properly set divergences using nanoBragg xray beams (bf7f23e446)

CCTBX commit

Tue, 23 Jan 2024 08:02:03 -0800

554 lines

[git/cctbx_project] master: faster rotate method (0957217178)

CCTBX commit

Tue, 23 Jan 2024 08:02:03 -0800

125 lines

[git/cctbx_project] master: Fix typo (e17c100410)

CCTBX commit

Sat, 20 Jan 2024 04:26:08 -0800

94 lines

[git/cctbx_project] master: conda: ignore missing directories/files when creating installer (4386c4c5b1)

CCTBX commit

Sat, 20 Jan 2024 04:23:22 -0800

100 lines

[git/cctbx_project] master: Add possibility of using custom scattering factors to phenix.fmodel (8ac8b60a86)

CCTBX commit

Fri, 19 Jan 2024 15:40:46 -0800

265 lines

[git/cctbx_project] master: Remove comment (7cfb1b7d1d)

CCTBX commit

Fri, 19 Jan 2024 13:10:00 -0800

87 lines

[git/cctbx_project] master: conda: fix path in Windows installers (1a6ca9f6e1)

CCTBX commit

Fri, 19 Jan 2024 13:00:28 -0800

181 lines

[git/cctbx_project] master: conda: clean up installation script (36b07d73fe)

CCTBX commit

Fri, 19 Jan 2024 12:44:23 -0800

388 lines

[git/cctbx_project] master: Fix test after geostd updates (44b32e6795)

CCTBX commit

Fri, 19 Jan 2024 11:27:25 -0800

248 lines

[git/cctbx_project] master: updated dihedrals for lone H (0eba8fedeb)

CCTBX commit

Fri, 19 Jan 2024 09:06:06 -0800

97 lines

[git/cctbx_project] master: LLP restraints updated to include H1Z (89a68e4ec7)

CCTBX commit

Thu, 18 Jan 2024 16:14:42 -0800

90 lines

[git/cctbx_project] master: more fixes due to new GeoStd (4df4027784)

CCTBX commit

Thu, 18 Jan 2024 16:09:13 -0800

1064 lines

[git/cctbx_project] master: small change (159329a8da)

CCTBX commit

Thu, 18 Jan 2024 12:56:10 -0800

134 lines

[git/cctbx_project] master: Catch None (c1baa196ad)

CCTBX commit

Thu, 18 Jan 2024 12:25:59 -0700

122 lines

[git/dxtbx] main: `FormatMRC`: more robust handling of extended headers. (#679) (f903a3c3)

DXTBX commit

Thu, 18 Jan 2024 16:07:02 +0000

202 lines

[git/cctbx_project] master: MOPAC energy must be Heat of Formation (5218cdeb23)

CCTBX commit

Wed, 17 Jan 2024 16:15:18 -0800

137 lines

[git/cctbx_project] master: changes for Q|R terminals (7082245995)

CCTBX commit

Wed, 17 Jan 2024 16:15:18 -0800

177 lines

[git/cctbx_project] master: Initial qscore commit, fix previous submodule commit (5c9de4edf2)

CCTBX commit

Wed, 17 Jan 2024 11:47:17 -0800

2275 lines

[git/cctbx_project] master: Revert "Initial commit of qscore implementation" (db797f1bc1)

CCTBX commit

Wed, 17 Jan 2024 11:44:33 -0800

81 lines

[git/cctbx_project] master: Initial commit of qscore implementation (a190167c35)

CCTBX commit

Wed, 17 Jan 2024 11:10:14 -0800

76 lines

[git/cctbx_project] master: Expose qscore as a program (18b6144f55)

CCTBX commit

Wed, 17 Jan 2024 11:10:14 -0800

318 lines

[git/cctbx_project] master: use str instead of basestring (6d03ec5882)

CCTBX commit

Wed, 17 Jan 2024 10:04:07 -0800

98 lines

[git/cctbx_project] master: XFEL CI: add retries to conda steps (fd9972b278)

CCTBX commit

Wed, 17 Jan 2024 09:19:53 -0800

116 lines

[git/cctbx_project] master: adds option to store average wavelength per pixel (25a9002d4e)

CCTBX commit

Tue, 16 Jan 2024 18:43:04 -0800

888 lines

[git/cctbx_project] master: Catch pdb_hierarchy that does not fit in pdb format and write with mmcif (2882f6d364)

CCTBX commit

Mon, 15 Jan 2024 10:26:11 -0700

100 lines

[git/cctbx_project] master: move set dispatcher name to trigger building executable (1c22358bdc)

CCTBX commit

Fri, 12 Jan 2024 12:40:12 -0500

107 lines

[git/cctbx_project] master: updated the parent and AA types (b959a753e1)

CCTBX commit

Thu, 11 Jan 2024 09:14:34 -0800

629 lines

[git/cctbx_project] master: Add missing serialtbx __init__ files (2f4ceaaff4)

CCTBX commit

Wed, 10 Jan 2024 10:49:14 -0800

100 lines

[git/cctbx_project] master: undowser advice text updates (37c6698336)

CCTBX commit

Wed, 10 Jan 2024 10:32:02 -0500

148 lines

[git/cctbx_project] master: Fix broken REMAR 3 formatting (ad1a1ff980)

CCTBX commit

Tue, 9 Jan 2024 19:19:23 -0800

250 lines

[git/cctbx_project] master: Take external list of unstable tests. (788fbf5807)

CCTBX commit

Tue, 9 Jan 2024 13:15:12 -0800

120 lines

[git/cctbx_project] master: Better ADP weight selection for low-res (c4574522a3)

CCTBX commit

Tue, 9 Jan 2024 12:19:35 -0800

242 lines

[git/cctbx_project] master: Take expected failures from outside (phenix_regression). (281d0bae28)

CCTBX commit

Tue, 9 Jan 2024 09:57:53 -0800

120 lines

[git/cctbx_project] master: Merge changes made for Frontier (#934) (064ef40279)

CCTBX commit

Mon, 8 Jan 2024 11:00:48 -0800

462 lines

[git/cctbx_project] master: Exposing silent option. (432483d0bc)

CCTBX commit

Mon, 8 Jan 2024 10:32:24 -0800

134 lines

[git/cctbx_project] master: Fixing typo. (66949ba22c)

CCTBX commit

Mon, 8 Jan 2024 10:24:32 -0800

105 lines

[git/cctbx_project] master: Do not try to extract fmodel is no reflection data is found. (157c12a046)

CCTBX commit

Fri, 5 Jan 2024 13:10:29 -0800

148 lines

[git/cctbx_project] master: Auto-save cluster file in XFEL GUI (9983275401)

CCTBX commit

Wed, 3 Jan 2024 16:00:57 -0800

158 lines

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