a3bc8a3067
Revert "update the write function"
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This reverts commit d6edbf6bcd
2021-12-02 05:52:22 -06:00
0894bc2682
remove duplicate
2021-11-29 07:56:10 -06:00
7559cc0536
Update the labelmap command
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Update the labelmap command. If a type label already exists for a given
numeric type, it will be overwritten.
2021-11-29 05:36:20 -06:00
4589e30e0e
remove duplicate
2021-11-28 20:13:27 -06:00
d6edbf6bcd
update the write function
2021-11-28 19:35:33 -06:00
6d47160bef
print error message in one line
2021-11-28 18:58:56 -06:00
76eb4f8057
Update the implementation & typelabels interface
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Update the typelabels interface in the code and update the
LabelMap use based on class changes.
2021-11-28 18:55:55 -06:00
6a3d163c7c
Update the typelabels interface
2021-11-28 18:55:26 -06:00
78c72ddd31
Update the LabelMap implementation
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Update the LabelMap implementation based on unordered_map.
2021-11-28 18:53:28 -06:00
49cfd6c486
Update the LabelMap to use unordered_map
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Update the LabelMap to use unordered_map and optimize search of
elements in average constant-time complexity. It also enforce
enforce unique labels.
2021-11-28 18:49:50 -06:00
78cc471335
update keywords according to docs
2021-11-20 16:51:57 -05:00
20f80dcb46
edits to doc pages
2021-11-19 15:35:36 -07:00
4c52ec300b
Merge branch 'type-labels' of github.com:jrgissing/lammps into type-labels
2021-11-19 09:36:54 -07:00
c4330298e1
enforce unique labels when using labelmap command
2021-11-15 23:24:57 -05:00
5bc399c22b
force unique labels in data file
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note: not possible to create duplicate label in a second data file (if duplicate, assigns to existing label)
still need to enforce unique labels when using labelmap command
2021-11-07 01:01:41 -04:00
3fc47a9366
read_data: bond, etc. direct label support
2021-11-07 00:51:55 -04:00
062b880661
write_data: bond, etc. direct label support
2021-11-06 00:12:13 -04:00
a7a8581662
write_data: directly replace types w labels
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allow direct replacement of numeric atom types in Atoms sections with type labels, using new keyword
2021-11-05 23:03:55 -04:00
9952526724
allow type labels for atom types in data file
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allow strings for atom types in Atoms section!
bonds, etc. will be more elegant
2021-11-05 01:30:21 -04:00
049895b3e4
correct merge conflict
2021-11-05 01:11:08 -04:00
eab6bc5bf7
Merge branch 'lammps-develop' into type-labels
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rebase
2021-11-04 21:21:07 -04:00
8d4956046b
Merge branch 'develop' of https://github.com/lammps/lammps into lammps-develop
2021-11-04 21:20:29 -04:00
a4ceda9706
Merge pull request #2940 from akohlmey/multi-config-support
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Support multi-config builds with CMake
2021-11-04 15:21:58 -07:00
935c17f02e
Document multi-configuration build support in CMake
2021-11-04 16:32:21 -04:00
aab4f71019
Merge branch 'develop' into multi-config-support
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# Conflicts:
# unittest/force-styles/test_error_stats.cpp
2021-11-04 15:50:49 -04:00
3ec3085f39
Merge pull request #3017 from akohlmey/portability-improvements
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Portability improvements
2021-11-04 12:21:11 -07:00
7c80911f66
whitespace
2021-11-03 15:23:29 -04:00
439f997a10
skip test for file not readable due to permissions on windows
2021-11-03 14:54:38 -04:00
62fc7b6fa0
small tweaks to make replacing the CMakeLists.txt file work as expected
2021-11-03 14:44:16 -04:00
37dfc9e141
simplify by not trying to use fetchcontent but do all steps manually
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as it turns out, fetchcontent is calling external_project internally at
some point which to avoid is why this function was started in the first place
2021-11-03 14:43:18 -04:00
b7bf60ea53
use the portable platform::unlink() instead of unlink()
2021-11-03 14:26:50 -04:00
35ff47411b
Merge branch 'multi-config-support' of github.com:akohlmey/lammps into multi-config-support
2021-11-03 12:35:40 -04:00
7f0b2334a5
update plugin loader test
2021-11-03 11:52:32 -04:00
b95e12bb6c
add additional function argument where we can supply our own CMakeLists.txt file
2021-11-03 11:50:39 -04:00
eb3f928f31
tweak epsilon for portability with windows
2021-11-03 10:54:40 -04:00
1ad982aa85
improve portability of unit test code for windows compilers
2021-11-03 10:54:21 -04:00
50f39cd752
implement and use a platform neutral abstraction of unsetenv(3)
2021-11-03 10:53:45 -04:00
a9c6f943e1
correct test comparisons
2021-11-02 23:07:44 -04:00
6479116419
Merge branch 'develop' into multi-config-support
2021-11-02 16:39:12 -04:00
515ef7bece
Merge pull request #3015 from lammps/dump-image-doc
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Move dump_modify options specific to image/movie to dump image doc page
2021-11-02 13:22:27 -07:00
80579593e0
Merge pull request #3014 from akohlmey/collected_small_changes
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Collected small changes and bugfixes
2021-11-02 13:02:31 -07:00
b044a2f88b
switch to https protocol for cloning MathJax
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https://github.blog/2021-09-01-improving-git-protocol-security-github/
2021-11-02 15:26:45 -04:00
d3af16c1fd
Merge branch 'develop' into collected_small_changes
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# Conflicts:
# src/fix_vector.cpp
2021-11-02 14:41:16 -04:00
71d48bc48a
Merge branch 'cmake_fixes' of https://github.com/pzeiger/lammps into collected_small_changes
2021-11-02 14:36:59 -04:00
91e6586e05
reorder
2021-11-02 14:35:36 -04:00
817e38fe68
change references to git:// protocol for accessing github to https://
2021-11-02 14:33:21 -04:00
278e531c14
fix typo
2021-11-02 14:33:00 -04:00
175f967051
change references to git:// protocol for accessing github to https://
2021-11-02 14:25:57 -04:00
59c060cc0e
switch to https protocol for cloning MathJax
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https://github.blog/2021-09-01-improving-git-protocol-security-github/
2021-11-02 14:14:08 -04:00
0439671e86
Merge pull request #3001 from akohlmey/modify-fix-compute-accessors
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Add accessor functions to `Modify` and `Domain` that do not require using class internal data structures
2021-11-02 11:02:01 -07:00
