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b41d826e0a
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Merge branch 'develop' into gran-temp
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2023-03-16 17:44:36 -04:00 |
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694b1b5748
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remove Fortran library based MESONT styles and the library itself
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2023-01-20 19:12:42 -05:00 |
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f175a15627
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Merge branch 'develop' into gran-temp
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2023-01-10 09:58:50 -07:00 |
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652c237b5e
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Merge branch 'upstream' into dielectric-updates
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2022-12-25 15:13:46 -06:00 |
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a3c0be875e
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include-what-you-use updates
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2022-12-11 22:46:54 -05:00 |
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86c2ae6dab
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Switched to using q_scaled, keeping q as the real, unscaled charges
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2022-12-09 23:34:49 -06:00 |
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f671cd7765
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Merge branch 'develop' into gran-temp
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2022-11-01 14:10:28 -06:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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cca7a53132
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Patching heat implementation and adding example
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2022-09-25 14:53:53 -06:00 |
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7e6bd892ed
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apply clang-format
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2022-09-10 03:29:32 -04:00 |
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9b41d28947
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Merge branch 'develop' into type-labels
# Conflicts:
# doc/src/dihedral_coeff.rst
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2022-09-01 21:09:04 -04:00 |
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b6ce6755d9
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add Atom::get_style() method
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2022-08-27 16:13:00 -04:00 |
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4b842d52e6
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Merge branch 'develop' into type-labels
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2022-08-22 10:45:48 -04:00 |
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92c9614429
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Merge branch 'develop' into refactor-find-xxx
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
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2022-08-17 15:48:26 -04:00 |
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3c744772b8
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add new api to access molecules.
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2022-08-13 16:02:50 -04:00 |
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2eb6ff1111
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allow const char * argument
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2022-08-11 03:45:56 -04:00 |
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eb4ce25f03
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finish rolling back multiple maps feature
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2022-08-09 11:32:29 -04:00 |
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363b80f85c
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begin unfeaturing multiple label maps feature
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2022-08-09 01:01:31 -04:00 |
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f9717049b1
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Merge branch 'develop' into type-labels
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2022-08-08 17:16:50 -04:00 |
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c6d59fc526
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adding documentation and integration fix
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2022-06-12 10:09:26 -06:00 |
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929734ce45
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Merge remote-tracking branch 'github/develop' into amoeba-ak
# Conflicts:
# doc/src/Commands_pair.rst
# src/memory.h
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2022-04-28 20:08:18 -04:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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aed7bafac0
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Merge pull request #3217 from akohlmey/atomvec-strings
Refactor Atom and AtomVec classes to use std::string and std::vector for setting up per-atom data
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2022-04-22 22:03:26 -04:00 |
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89195363d6
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whitespace
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2022-04-18 21:20:13 -04:00 |
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f8f2b9542e
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sync with current develop
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2022-04-18 17:29:23 -06:00 |
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f40b8f5694
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Merge branch 'develop' into dielectric-updates
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2022-04-17 17:47:55 -04:00 |
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111111b38b
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Merge branch 'develop' into atomvec-strings
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2022-04-14 16:52:04 -04:00 |
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500a3426ed
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"stringify" and "vectorize" per-atom data handling in Atom class
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2022-04-14 11:31:20 -04:00 |
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b05aadf877
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Allowed to set the atom local dielectric values (epsilon)
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2022-04-11 14:18:43 -05:00 |
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e13a70ad2f
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Merge branch 'develop' into type-labels
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2022-03-23 01:08:35 -04:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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6a0e93a18a
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convert more style_creators to use local static functions
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2022-02-11 18:29:52 -05:00 |
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b8d4030983
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Update more core class destructors
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2022-01-19 13:27:08 -05:00 |
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a7a8581662
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write_data: directly replace types w labels
allow direct replacement of numeric atom types in Atoms sections with type labels, using new keyword
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2021-11-05 23:03:55 -04:00 |
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8d4956046b
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Merge branch 'develop' of https://github.com/lammps/lammps into lammps-develop
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2021-11-04 21:20:29 -04:00 |
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d7f7835069
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Fix merge conflicts, minor style fixes
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2021-11-01 18:13:06 -06:00 |
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f4851e9103
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change check for reset image flags to print messages only once per data file
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2021-10-13 21:54:18 -04:00 |
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67ae6eb7b6
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Merge branch 'lammps:master' into type-labels
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2021-09-30 09:44:18 -04:00 |
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5be5a158de
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passing strings by reference
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2021-09-01 12:33:47 -05:00 |
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d2984d2615
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Merge branch 'master' into BPM
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2021-08-27 10:04:04 -06:00 |
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bb720626e3
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Adding files for BPM
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2021-08-27 09:22:56 -06:00 |
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b2b807f9b9
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initial version of AMOEBA/HIPPO force field files
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2021-08-25 13:53:31 -06:00 |
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8f71979ba1
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update formatting in src folder with clang-format
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2021-08-23 20:46:09 -04:00 |
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2a06484511
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master2
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2021-08-20 10:53:04 -04:00 |
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e6af1eecb8
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resolved merge conflicts with master
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2021-08-17 11:55:33 -06:00 |
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e6181d14d7
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Use latest versions in master branch
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2021-07-15 13:53:15 +01:00 |
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e99b8ed07c
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Merge branch 'master' into cg-dna
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2021-07-15 13:37:24 +01:00 |
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89d7e34540
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destructor in polymorph base class should be virtual
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2021-07-10 10:53:36 -04:00 |
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