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080b3b9ccb
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avoid 32-bit integer overflow
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2022-12-05 13:23:12 -05:00 |
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41f97430e1
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fix leaks for ewald and pppm/intel
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2022-11-23 15:20:11 +10:00 |
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e9c2608e76
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delete boundcorr in deallocate()
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2022-11-23 15:08:31 +10:00 |
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f5261b449a
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Remove setup from BoundaryCorrection
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2022-11-14 10:02:36 +01:00 |
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64c9f7ffed
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Merge branch 'develop' into electrode
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2022-11-08 09:46:56 +01:00 |
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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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ac3dde957d
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Review old todos
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2022-10-24 14:05:34 +02:00 |
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0654d6c8d6
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Refactor A-matrix in INTEL (and base package)
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2022-10-21 08:24:19 +00:00 |
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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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deb137db8a
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Refactor amatrix
Computation of long-range A matrix with pppm is optimized.
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2022-10-18 07:27:05 +00:00 |
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955b615e1e
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Fix undef var
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2022-10-11 10:36:22 -06:00 |
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62ac080736
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Conjugate gradient
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2022-09-02 14:06:04 +00:00 |
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8edcc3381e
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Citation strings in ELECTRODE package
Cite new paper in fix electrode and its documentation. Add citation
string to kspace sytle pppm/electrode.
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2022-08-29 09:48:14 +02:00 |
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234b9f180a
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use clang-tidy and clang-format to update/modernize/simplify code
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2022-05-31 14:46:57 -04:00 |
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9c45af7730
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avoid potential 32-bit integer overflow
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2022-04-29 20:53:57 -04:00 |
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66b8ab9c6e
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Revamped examples
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2022-04-26 09:42:45 +02:00 |
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c086664c2a
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Per-atom vector usage
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2022-04-20 16:23:44 +02:00 |
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4adeb29491
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clang-tidy fixes
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2022-04-09 19:00:59 -04:00 |
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a94fa0a840
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formatting
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2022-04-09 07:44:33 -04:00 |
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7673eda947
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apply clang-format
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2022-04-09 07:16:22 -04:00 |
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65be564cd6
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Review akohlmey
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2022-04-05 15:35:04 +00:00 |
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6e74d0a09a
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LAMMPS GridComm patch
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2022-02-25 08:13:16 +00:00 |
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efa5db4c58
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ELECTRODE package
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2022-02-10 11:33:38 +01:00 |
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