|
|
98f3a0a1ba
|
refactor cone visualization to match what LAMMPS is showing
|
2025-02-12 15:28:13 -05:00 |
|
|
|
66ec1ff360
|
make resolution of VMD graphics primitives a compile time constant.
|
2025-02-12 12:09:29 -05:00 |
|
|
|
7af11fe604
|
make more use of SafeFilePtr class.
|
2025-02-12 10:35:02 -05:00 |
|
|
|
944e50b06a
|
need to define another constructor to make the SafeFilePtr class work for more cases
|
2025-02-12 10:34:21 -05:00 |
|
|
|
5b7bf1951e
|
simplify logic for drawing a cylinder region
|
2025-02-12 05:42:51 -05:00 |
|
|
|
1d3ad36e85
|
add support for visualization plane regions
|
2025-02-11 07:40:42 -05:00 |
|
|
|
252bd9aa9d
|
must close "owned" file pointer if a different one is is assigned
|
2025-02-11 05:13:07 -05:00 |
|
|
|
08553a7272
|
apply safe file pointer
|
2025-02-10 22:48:55 -05:00 |
|
|
|
c42650257f
|
move AutoClose class to separate header and rename to SafeFilePtr
|
2025-02-10 22:27:09 -05:00 |
|
|
|
f8b13b21ec
|
Merge branch 'develop' into collected-small-changes
|
2025-02-10 17:57:49 -05:00 |
|
|
|
c41c4086ca
|
Merge pull request #4468 from akohlmey/add-region2vmd-command
Add a new region2vmd command for visualizing regions with VMD
|
2025-02-10 16:57:44 -05:00 |
|
|
|
d9d24300a4
|
add support for ellipsoid regions
|
2025-02-10 00:05:42 -05:00 |
|
|
|
4cab0bfe1a
|
implement all open face cases for cylinder regions
|
2025-02-09 22:19:03 -05:00 |
|
|
|
0de9da709c
|
add support for moving regions and open faced regions
|
2025-02-09 18:25:14 -05:00 |
|
|
|
6bd2e0e496
|
update error messages to use new Error class APIs
|
2025-02-09 10:53:03 -05:00 |
|
|
|
31697bac8d
|
correct copy-n-modify omission
|
2025-02-09 10:22:55 -05:00 |
|
|
|
e00e215f99
|
add support to prism regions to be exported to VMD
|
2025-02-09 10:16:30 -05:00 |
|
|
|
5557e03e54
|
add hint about setting top molecule in VMD
|
2025-02-08 23:26:43 -05:00 |
|
|
|
3cd028fd01
|
refactor command to be more flexible and capable
|
2025-02-08 22:52:19 -05:00 |
|
|
|
f693577262
|
add versionadded tag
|
2025-02-08 18:30:00 -05:00 |
|
|
|
0a8e2f923d
|
add to .gitignore
|
2025-02-08 18:29:27 -05:00 |
|
|
|
8a87a6068c
|
use lighter color "silver"
|
2025-02-08 18:23:57 -05:00 |
|
|
|
c7db4e9e19
|
add docs for region2vmd command
|
2025-02-08 18:06:32 -05:00 |
|
|
|
95858bccc6
|
add region2vmd command
|
2025-02-08 18:06:12 -05:00 |
|
|
|
8791b29aa2
|
give Region2VMD class access to protected members of region style classes
|
2025-02-08 18:05:57 -05:00 |
|
|
|
098bb4b3c8
|
flag development version
|
2025-02-08 09:08:43 -05:00 |
|
|
|
792144f12e
|
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
|
2025-02-07 21:54:58 -05:00 |
|
|
|
8a1744c038
|
Updates to the instructions for building the manual.
|
2025-02-07 21:51:37 -05:00 |
|
|
|
6eddb3a33f
|
various minor tweaks and reformatting for CMake scripts
|
2025-02-07 20:50:14 -05:00 |
|
|
|
61a2db4715
|
revise and expand global README file
|
2025-02-07 19:47:05 -05:00 |
|
|
|
1a636acf81
|
simplify / optimize
|
2025-02-07 07:34:32 -05:00 |
|
|
|
ab6668031f
|
explain some more about transition to C++17
|
2025-02-06 20:55:40 -05:00 |
|
|
|
d22533350a
|
update copyright year
|
2025-02-06 20:55:23 -05:00 |
|
|
|
c9f41f9d90
|
explain more steps of the release process related to building packages
|
2025-02-06 20:55:11 -05:00 |
|
|
|
a547b9a417
|
do not mention rebasing
|
2025-02-06 15:00:54 -05:00 |
|
|
|
04cad88b55
|
we can include ML-RANN package now in VLA check
|
2025-02-06 00:10:17 -05:00 |
|
|
|
97e7baf33f
|
get rid of non-standard variable-length arrays in ML-RANN package
|
2025-02-05 23:41:36 -05:00 |
|
|
|
2ae07ec1cb
|
sync C++ standard selection with main CMakeLists.txt file
|
2025-02-04 17:00:12 -05:00 |
|
|
|
c10219da9e
|
Merge pull request #4451 from akohlmey/next_release
Step version strings for next feature release
patch_4Feb2025
|
2025-02-04 13:31:31 -05:00 |
|
|
|
2777984355
|
Merge pull request #4461 from akohlmey/last-minute-fixes
Last minute fixes for next feature release
|
2025-02-04 09:51:39 -05:00 |
|
|
|
3fb8857be5
|
relax epsilon for tests on ARM64
|
2025-02-03 22:19:12 -05:00 |
|
|
|
113b2e47f0
|
must set val.iarg before processing any arguments
|
2025-02-03 22:18:45 -05:00 |
|
|
|
a01ac8c907
|
use byref() instead of pointer() to pass pointers to ctypes objects to C
|
2025-02-03 22:18:17 -05:00 |
|
|
|
995d6ab41f
|
Merge branch 'develop' into next_release
|
2025-02-03 17:55:37 -05:00 |
|
|
|
87dae19019
|
Merge pull request #4459 from akohlmey/collected-small-fixes
Collected small fixes and changes
|
2025-02-03 17:43:41 -05:00 |
|
|
|
848a4300fe
|
Merge branch 'develop' into collected-small-fixes
|
2025-02-03 14:54:38 -05:00 |
|
|
|
3b62892fc3
|
Merge pull request #4450 from rbberger/rberger/python_numpy_wrapper_fixes
python: numpy wrapper handle error cases
|
2025-02-03 14:53:52 -05:00 |
|
|
|
06506aa23b
|
Merge pull request #4415 from evoyiatzis/patch-2
Allow definition of prism region using equal style variables
|
2025-02-03 14:50:00 -05:00 |
|
|
|
8a0027e788
|
improve phrase
|
2025-02-03 11:40:56 -05:00 |
|
|
|
b17699a56a
|
Merge pull request #4460 from ndtrung81/fixed-failed-regression-tests
Fixed the failed regression test with Lost atoms in an EFF example input, and added reference log files
|
2025-02-03 11:38:53 -05:00 |
|
