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b960cb213f
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revert to building with basic.cmake preset and manually include packages, refactor the get_kokkos_input script
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2024-10-11 15:36:18 -05:00 |
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e9ff0d3402
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modify the kokkos workflow file
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2024-10-11 14:42:45 -05:00 |
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8f76fcdc54
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Added a python script to get the example inputs that contain KOKKOS styles and generate the input lists for regression tests
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2024-10-11 14:18:43 -05:00 |
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f1a79e7df5
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Update fix_adapt.rst
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2024-10-11 19:55:28 +02:00 |
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e3ab697dd2
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unit test for extract() in angle-gaussian.yaml
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2024-10-11 19:49:24 +02:00 |
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ae652b31da
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unit test for extract() in bond-gaussian.yaml
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2024-10-11 19:48:18 +02:00 |
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df50691488
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small correction and clarifications
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2024-10-11 06:54:46 -04:00 |
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6d30557ec2
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Update partially fix_adapt.rst
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2024-10-11 11:08:32 +02:00 |
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391f55b377
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unit test for extract() in bond-nonlinear.yaml
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2024-10-11 11:02:55 +02:00 |
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856fd9d977
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unit test for extract() in bond-morse.yaml
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2024-10-11 11:01:57 +02:00 |
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8bc89ef8a7
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unit test for extract() in bond-class2.yaml
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2024-10-11 10:59:29 +02:00 |
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c8241dcab6
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unit test for extract() in angle-class2_p6.yaml
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2024-10-11 10:58:32 +02:00 |
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b619cce773
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add extract() function to bond_gaussian.cpp
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2024-10-11 10:54:56 +02:00 |
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7da8434d5b
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add extract() function to bond_gaussian.h
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2024-10-11 10:54:24 +02:00 |
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732ef6bd44
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add extract() function to angle_gaussian.cpp
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2024-10-11 10:53:45 +02:00 |
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44625312ea
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add extract() function to angle_gaussian.h
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2024-10-11 10:53:02 +02:00 |
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4766ddbede
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Update bond_nonlinear.cpp
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2024-10-11 10:52:21 +02:00 |
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b5386d714e
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Update extract() function to bond_morse.cpp
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2024-10-11 10:51:14 +02:00 |
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87737c1a47
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add extract() function to angle_cosine_buck6d.cpp
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2024-10-11 10:49:45 +02:00 |
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81ac3bbaf6
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add extract() function to angle_cosine_buck6d.h
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2024-10-11 10:49:13 +02:00 |
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1db92ad34b
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add extract() function to angle_class2_p6.cpp
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2024-10-11 10:48:19 +02:00 |
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852c46ba0e
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add extract() function to angle_class2_p6.h
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2024-10-11 10:47:30 +02:00 |
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aeeacf0442
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Update extract of bond_class2.cpp
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2024-10-11 10:42:01 +02:00 |
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5c82063376
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Merge branch 'electrode' of github.com:robeme/lammps into collected-small-changes
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2024-10-10 17:32:28 -04:00 |
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9adf51f18e
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ignore python wheel build folder
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2024-10-10 17:29:33 -04:00 |
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49a850c8aa
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add cmake support for make-globbed-toc
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2024-10-10 17:25:05 -04:00 |
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7693e96828
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change globbed toc script from bash to python
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2024-10-10 17:24:23 -04:00 |
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9835adcbfc
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allow use of Sphinx version 8.x as interface with breathe seems to have been updated
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2024-10-10 13:36:53 -04:00 |
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766ba94396
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use script instead of globbing to avoid entering commands in multiple toctrees
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2024-10-10 13:36:48 -04:00 |
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d684f6eb9b
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-10 12:23:16 -04:00 |
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bbafad145b
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fixed identation
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2024-10-10 12:23:09 -04:00 |
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505d519be2
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Update affiliation for ELECTRODE in package details
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2024-10-10 16:18:05 +02:00 |
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c5c22bd56a
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Moved vir_estimator from bosonic_exchange to fix_pimd_nvt
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2024-10-10 15:54:42 +03:00 |
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393dbdc640
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add missing constants to enumerators
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2024-10-10 08:00:38 -04:00 |
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56cc9d03bd
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skip tests that are unstable on GPU
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2024-10-10 06:11:32 -04:00 |
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df260b58dd
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Merge pull request #4353 from martok/cmake-win-shared
CMake: install shared libraries on Windows with correct target
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2024-10-10 05:39:28 -04:00 |
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948ee80169
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potflag and phi are not used
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2024-10-10 05:35:51 -04:00 |
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482a6632e9
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consolidate kspace communication enumerators in kspace.h
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2024-10-10 05:35:01 -04:00 |
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2935c17f78
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avoid segfault in msm/dielectric
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2024-10-10 05:19:32 -04:00 |
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422ced4d82
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silence compiler warnings
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2024-10-09 20:55:00 -04:00 |
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58989765f0
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Install shared libraries on Windows with RUNTIME DESTINATION
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2024-10-10 00:52:36 +02:00 |
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a8c9b57b62
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partial revert of refactoring that broke efield and setforce
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2024-10-09 18:34:17 -04:00 |
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a5b76410e1
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cleanup
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2024-10-09 18:32:54 -04:00 |
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bc2267c9c8
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Update fix_efield_kokkos.cpp
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2024-10-09 18:32:38 -04:00 |
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315ac762cc
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Update fix_setforce_kokkos.cpp
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2024-10-09 18:32:32 -04:00 |
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badb3eae5f
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add tests with region sphere
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2024-10-09 18:06:24 -04:00 |
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3b60ae43b3
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fix nvcc option
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2024-10-09 17:44:49 -04:00 |
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79c9d69931
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Update CMakeLists.txt
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2024-10-09 17:26:30 -04:00 |
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147cf7face
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-diag_suppress (single dash)
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2024-10-09 17:22:35 -04:00 |
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dd11385f6f
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all device function in headers to avoid device relocatable code with nvcc
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2024-10-09 16:45:50 -04:00 |
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