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Author SHA1 Message Date
Maarten L. Hekkelman
6d0ea5c6f9 Drop using CCP4 monomers library 
version bump
 2023-11-21 14:48:51 +01:00
Maarten L. Hekkelman
dbe40e3ad6 No longer use mon_lib_list as check for existence of compound 2023-11-06 08:39:17 +01:00
Maarten L. Hekkelman
958d3b05c8 Correctly import Eigen3 2023-11-06 08:21:59 +01:00
Maarten L. Hekkelman
4e7b0baafb version bump v5.2.4 2023-11-02 14:29:05 +01:00
Maarten L. Hekkelman
b3dc38f2d8 update for WIN32 2023-11-02 14:12:17 +01:00
Maarten L. Hekkelman
6044d3dce3 Added cif::cell::get_volume() 2023-10-19 11:58:21 +02:00
Maarten L. Hekkelman
29446f2122 new cif::item constructors 
version bump
 2023-10-19 09:51:10 +02:00
Maarten L. Hekkelman
abb8673549 Better support for older cmake versions 2023-10-17 15:24:21 +02:00
Maarten L. Hekkelman
ffc8f9dcdf Better support for older cmake versions 2023-10-17 15:22:35 +02:00
Maarten L. Hekkelman
288b2bb720 update changelog v5.2.2 2023-10-17 12:23:59 +02:00
Maarten L. Hekkelman
fb3b7bda68 made data dir options more visible in cmake config 
better error reporting in file::load
 2023-10-10 13:39:13 +02:00
Maarten L. Hekkelman
6d5efe1cbd Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2023-09-26 14:40:44 +02:00
Maarten L. Hekkelman
1ceec22184 Better conversion from string to int 2023-09-26 14:40:38 +02:00
Maarten L. Hekkelman
951ff9b953 Better conversion from string to int 2023-09-26 14:39:26 +02:00
Maarten L. Hekkelman
641f06a7e7 sqrt is not constexpr on macOS 2023-09-22 09:37:15 +02:00
Maarten L. Hekkelman
915ba4ac21 describe download CCD 2023-09-18 10:49:08 +02:00
Maarten L. Hekkelman
824637d83f Update README.md, add link to documentation 2023-09-15 08:56:34 +02:00
Maarten L. Hekkelman
0871406fe3 Eigen dependency removed for clients 
Typos fixed
Version bump
 2023-09-14 16:03:00 +02:00
Maarten L. Hekkelman
1ad7e47b2e version bump, changelog v5.2.1 2023-09-14 12:53:07 +02:00
Maarten L. Hekkelman
f72a2c69d0 rename doxygen target 2023-09-14 11:14:38 +02:00
Maarten L. Hekkelman
84d9275cb8 update versionstring 2023-09-14 11:12:49 +02:00
Maarten L. Hekkelman
1b7c387c8b reintroduced get_terminal_width as an exported function 2023-09-14 09:52:52 +02:00
Maarten L. Hekkelman
2f1adbd22c clean up 2023-09-14 09:45:13 +02:00
Maarten L. Hekkelman
65031523a6 Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk 2023-09-14 09:15:07 +02:00
Maarten L. Hekkelman
02cc0fa0f6 Using CTest 
Create docs/xml directory
 2023-09-14 09:13:16 +02:00
Maarten L. Hekkelman
1e1afa023f Using CTest 
Create docs/xml directory
 2023-09-14 09:12:28 +02:00
Maarten L. Hekkelman
41f343c2cd Create the docs/xml directory in configure step v5.2.0 2023-09-13 17:01:43 +02:00
Maarten L. Hekkelman
a73c4deaca Revert changes in CMakeLists.txt for docs 2023-09-13 16:45:15 +02:00
Maarten L. Hekkelman
01a21aebc4 Fix install rules 2023-09-13 16:16:16 +02:00
Maarten L. Hekkelman
49434043f2 typo 2023-09-13 16:04:30 +02:00
Maarten L. Hekkelman
2e23877912 cleaning up a readthedocs.yaml file 2023-09-13 15:23:35 +02:00
Maarten L. Hekkelman
b737dd7df4 Even more documentation 2023-09-13 14:59:57 +02:00
Maarten L. Hekkelman
137ffaf768 Merge remote-tracking branch 'github/new-docs' into develop 2023-09-13 12:15:13 +02:00
Maarten L. Hekkelman
747c6d30d2 Added better support for std::optional in conditions 2023-09-13 12:14:04 +02:00
Maarten L. Hekkelman
4585968b11 fix point_type 2023-09-13 10:23:31 +02:00
Maarten L. Hekkelman
84af564aee More documentation 
Version bump
 2023-09-13 10:22:28 +02:00
Maarten L. Hekkelman
86d957675e documented last code 2023-09-12 10:25:18 +02:00
Maarten L. Hekkelman
bc33e608db better docs 2023-09-12 10:04:34 +02:00
Maarten L. Hekkelman
0b5d28338e replacing std::endl where appropriate 
more docs
 2023-09-12 09:06:45 +02:00
Maarten L. Hekkelman
bdbf22e705 more docs 2023-09-11 15:12:37 +02:00
Maarten L. Hekkelman
160f6016ee more docs 2023-09-11 14:31:13 +02:00
Maarten L. Hekkelman
0855965edf Documenting more 
Fixed colouring output manipulators
 2023-09-11 12:37:51 +02:00
Maarten L. Hekkelman
fe3cbdab78 refactoring PDB interface 2023-09-11 08:37:18 +02:00
Maarten L. Hekkelman
a8c25f910d new colouring of output 2023-09-08 10:22:08 +02:00
Maarten L. Hekkelman
cb82ec9b01 new colouring of output, first attempt 2023-09-08 09:23:01 +02:00
Maarten L. Hekkelman
e84282cb9a documenting symmetry and text 2023-09-06 17:01:53 +02:00
Maarten L. Hekkelman
8b2e02e1b0 documented row 2023-09-06 14:29:14 +02:00
Maarten L. Hekkelman
1addd2be89 documented point 2023-09-06 13:49:13 +02:00
Maarten L. Hekkelman
2aebfc29ac documenting parser 2023-09-06 11:22:17 +02:00
Maarten L. Hekkelman
26a5410b38 documenting model 2023-09-06 10:59:48 +02:00