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ef902b03f9
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Merge branch 'develop' into collected-small-changes
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2024-06-19 12:02:56 -04:00 |
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4b0adcc66a
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avoid segfaults when updating charts in simulations with fast thermo output
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2024-06-13 08:34:25 -04:00 |
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567ba1f437
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improve R value for SI units
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2024-06-10 19:37:35 +02:00 |
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575047c278
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Update fep.py
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2024-06-07 14:40:21 +02:00 |
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f5253eb926
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Merge pull request #4174 from akohlmey/atom-map-library-interface
Add support for extracting a few more properties and the Atom::map() function to the library interface
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2024-06-04 13:23:31 -06:00 |
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788428ebf9
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more corrections
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2024-05-29 09:00:54 -04:00 |
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2d7515218c
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improve wording
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2024-05-28 19:55:59 -04:00 |
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475cddfa36
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remore i-PI distribution from tools folder
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2024-05-27 18:49:40 -04:00 |
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75a325751e
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implement support for lammps_map_atom() to plugin loader, Fortran module, swig
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2024-05-25 07:01:28 -04:00 |
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0577e1ff77
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install runtime dlls for LAMMPS library only with -DBUILD_SHARED_LIBS=yes
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2024-05-20 06:08:43 -04:00 |
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835b65b644
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Merge branch 'develop' into general-triclinic
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2024-02-21 14:53:32 -07:00 |
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a2ae9dce64
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apply clang-tidy fixes
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2024-02-09 06:29:08 -05:00 |
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7905e5d146
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-01-29 21:05:21 -05:00 |
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c7a3571974
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add library interface to Variable::internal_set()
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2024-01-24 03:59:29 -05:00 |
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c6d1cbef5a
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Merge branch 'develop' into general-triclinic
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2024-01-04 21:10:50 -05:00 |
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dedbd8f6db
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improvements from clang-tidy
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2023-12-21 14:25:31 -05:00 |
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4ae4c8103d
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step LAMMPS-GUI patch level
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2023-12-16 22:46:02 -05:00 |
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abe6356716
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update help index table for recently added or changed styles
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2023-12-14 21:34:11 -05:00 |
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45ca21da3b
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fix typo
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2023-12-14 11:21:16 -05:00 |
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1cff1deedc
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add valgrind suppressions for MPICH on Fedora 39
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2023-12-13 00:24:49 -05:00 |
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c0cab665e4
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complete printf format
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2023-12-03 04:18:44 -05:00 |
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28c547a3cf
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Merge branch 'develop' into general-triclinic
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2023-12-02 12:40:23 -05:00 |
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7f3af781fa
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remove superflous class member.
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2023-12-02 09:37:36 -05:00 |
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2970d73d22
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cosmetic
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2023-12-02 08:53:20 -05:00 |
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cace83e30d
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improve error handling to make coverity scan happy
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2023-12-02 08:53:05 -05:00 |
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f6b644388c
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add moltemplate tutorial to HowTo section
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2023-11-30 16:41:19 -05:00 |
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9fae8a2c2d
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Merge branch 'develop' into general-triclinic
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2023-11-21 15:21:16 -07:00 |
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dfafdff209
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finalized dump command support for general triclinic
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2023-11-20 12:06:58 -07:00 |
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5674786acd
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add feature to comment out and uncomment lines and selections from context menu
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2023-10-30 15:25:06 -04:00 |
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784ae460a1
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only offer completion in context menu, if there is something to complete
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2023-10-27 13:18:19 -04:00 |
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5a665c31f6
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use better heuristics to avoid zero plot ranges
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2023-10-27 00:20:34 -04:00 |
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b6b8884bc6
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clear data buffer when querying LAMMPS for info, check return values, use symbolic constant
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2023-10-26 13:58:17 -04:00 |
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22c47a4e1b
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expand x or y range for charts if too small
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2023-10-26 12:21:48 -04:00 |
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1e533d6496
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simplify
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2023-10-26 12:20:47 -04:00 |
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1e2416dfcc
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make sure liblinalg is built before linking phana
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2023-10-23 15:00:59 -04:00 |
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0f11a9dd70
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require version newer than 2 Aug 2023 for LAMMPS GUI 1.5.9
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2023-10-19 23:21:18 -04:00 |
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ea69d77b79
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fix issues with Qt library detection
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2023-10-17 20:02:01 -04:00 |
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ae8791c682
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avoid out of bounds access to string under cursor
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2023-10-13 08:17:10 -04:00 |
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2f67826363
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indicate whether multi-thread is available in preferences
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2023-10-13 06:59:06 -04:00 |
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50d2ebc27d
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auto-detect OpenMP support also when compiling a standalone binary
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2023-10-13 06:50:52 -04:00 |
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3db7e1f9cf
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avoid invalid data accesses
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2023-10-13 06:50:06 -04:00 |
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926de1575c
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avoid completion on empty lines
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2023-10-13 06:20:19 -04:00 |
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2629136958
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avoid uninitialized data access and segfaults when calling main widget functions
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2023-10-13 06:20:12 -04:00 |
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3ebcb0f6f1
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store settings to different locations for different Qt versions
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2023-10-13 06:00:29 -04:00 |
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6195be5af7
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make keyboard shortcut handling consistent across the entire app
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2023-10-13 05:59:20 -04:00 |
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506de7015d
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document support for building LAMMPS GUI with Qt6
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2023-10-13 05:13:30 -04:00 |
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6ad5c0eced
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port LAMMPS GUI to Qt6 while still supporting Qt5
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2023-10-12 23:24:11 -04:00 |
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fbdd61e28c
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enable spacefilling sphere option also for systems with per-atom radius
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2023-10-11 18:15:13 -04:00 |
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eff74405c1
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don't replace end of line character from completion
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2023-10-11 02:16:23 -04:00 |
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cc5c5bbd49
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block waiting for end of stdout data not more than a second
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2023-10-11 02:12:03 -04:00 |
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