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9d81246761
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add FLERR as first argument to Domain::minimum_image() and Domain::minimum_image_big()
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2025-05-31 02:28:53 -04:00 |
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6478cd98e9
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add extract() function to angle_mesocnt.cpp
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2024-10-14 11:30:20 +02:00 |
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0ce25755cd
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second round of include-what-you-use updates
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2024-02-28 15:37:13 -05:00 |
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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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0cc6ad8318
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cosmetic. silence compiler warnings. remove dead code.
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2022-08-31 11:25:35 -04:00 |
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46fa86a1e0
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modernize and fix memory leak
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2022-08-30 14:33:23 -04:00 |
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67d0931259
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clang-format on all mesocnt styles
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2022-08-30 15:02:06 +01:00 |
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dd96442230
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further improved error messages
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2022-08-30 13:43:15 +01:00 |
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baba75c60a
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improved errors in mesocnt bond and angle
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2022-08-30 10:54:28 +01:00 |
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330ac4dc5a
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changed MathConst inclusion to individual variables
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2022-08-30 10:15:21 +01:00 |
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2803e934d4
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Update src/MESONT/angle_mesocnt.cpp
Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com>
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2022-08-29 22:05:16 +01:00 |
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53f1f44d09
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switched buckled flag in angle_mesocnt to int for Windows MPI compatability
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2022-08-29 21:24:14 +01:00 |
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0b466bf910
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added author contributions to all mesocnt code files
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2022-08-29 13:58:35 +01:00 |
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26490f4021
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clang-formatted all mesocnt code files
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2022-08-29 13:00:20 +01:00 |
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a0f3994ffa
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added mesocnt bond type as wrapper for harmonic bond with automatic parametrisation
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2022-07-15 21:24:46 +02:00 |
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a5a6f32aff
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removed print statement in angle_mesocnt
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2022-07-15 17:45:19 +02:00 |
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20e39b57d8
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moved buckling/harmonic toggle to angle_coeff and added restart file support for buckling bool
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2022-07-15 17:44:21 +02:00 |
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5871fcf692
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added automatic angle parametrisation & buckling/harmonic toggle
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2022-07-15 15:22:31 +02:00 |
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c5c565195d
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removed unused case in angle_mesocnt
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2022-07-12 11:34:23 +01:00 |
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d37df9350c
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added buckled flag as custom atom property to angle_mesocnt, used by pair_mesocnt to determine if substitute chain heuristic can be used
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2022-05-27 15:13:27 +01:00 |
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fd348f3a81
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added bending buckling angle style cpp file
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2022-04-12 15:28:32 +01:00 |
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