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8cca44ae45
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removed wrong error messages
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2018-07-11 14:02:51 -06:00 |
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88d3233b66
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replaced printf with fprintf as requested
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2018-07-11 14:02:30 -06:00 |
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aa705f6122
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Added tail correction to fix gcmc
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2018-07-11 15:59:48 -04:00 |
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65d12b1961
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Merge remote-tracking branch 'lammps_upstream/master' into user-uef-image-flags
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2018-07-11 15:18:39 -04:00 |
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f288331874
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Merge pull request #993 from lammps/doc-plus-makefile
better rRESPA doc page, also a new Makefile.theta
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2018-07-11 12:53:31 -06:00 |
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71f6991233
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Small tweaks to fix_enforce2d_kokkos
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2018-07-11 12:39:04 -06:00 |
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5d13321425
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Standardize suffix paragraph in fix_enforce2d.txt
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2018-07-11 12:15:50 -06:00 |
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56c2127127
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Merge branch 'granular-kokkos' of github.com:valleymouth/lammps into granular-kokkos
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2018-07-11 12:03:57 -06:00 |
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b5816f2637
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Update docs for Kokkos version of GRANULAR package
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2018-07-11 12:03:34 -06:00 |
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492e945b5a
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Added options to link plumed statically
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2018-07-11 16:39:52 +01:00 |
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0d1e55c99d
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Removing unnecessary calls to sync/modified in AtomVecSphereKokkos.
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2018-07-11 11:06:16 -04:00 |
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acdc240cdd
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better rRESPA doc page, also a new Makefile.theta
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2018-07-11 08:42:28 -06:00 |
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69baaaec16
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Merge pull request #991 from akohlmey/collected-small-updates
Collected small updates for the next patch release
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2018-07-11 07:50:31 -06:00 |
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1f1447c3ac
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need to update exclusions with the new atom IDs in case of molecular systems
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2018-07-11 07:22:47 -04:00 |
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c3a32dde12
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Updated doc/body.txt for body rounded/polygon and rounded/polyhedron
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2018-07-11 00:21:49 -05:00 |
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930215a4b1
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superfluous code removal and formatting changes
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2018-07-10 23:10:04 -04:00 |
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c83b5ec226
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Prevent error when Kokkos debug mode turned on
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2018-07-10 19:49:41 -06:00 |
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eaf3d1ea9e
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added an image flag update a la domain->image_flip() to FixNHUef::pre_exchange()
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2018-07-10 19:38:18 -04:00 |
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c3bf7d0971
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added an interface for the inverse c.o.b. matrix to UEF_utils
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2018-07-10 19:02:31 -04:00 |
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5124c9e993
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Fixed bugs in body rounded/polydedra for correct size_border
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2018-07-10 16:53:26 -05:00 |
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9a70f4a08c
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modified UEF_utils to compute inverse change of basis
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2018-07-10 17:10:01 -04:00 |
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687a4427da
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Fix runtime error in pair_dpd_fdt_energy_kokkos due to rmass change
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2018-07-10 12:15:08 -06:00 |
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af0eb52410
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Error out if using fix pour with the KOKKOS package
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2018-07-10 10:21:42 -06:00 |
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a49f946f2f
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Add missing modify in atom_vec_sphere_kokkos
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2018-07-10 10:04:13 -06:00 |
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8c3cbad7ae
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Fix runtime error in fix_nve_kokkos
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2018-07-10 09:15:24 -06:00 |
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4d5635a3c4
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Fixed virial contribution from PLUMED
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2018-07-10 16:01:45 +01:00 |
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ca8b109a1c
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Fix issues with rmass in KOKKOS package
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2018-07-10 08:59:06 -06:00 |
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1ed25d195b
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convert c-style includes for c-library calls to c++-style
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2018-07-10 09:48:49 -04:00 |
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792b182cb0
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whitespace cleanup
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2018-07-10 09:46:08 -04:00 |
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ade9b7bfc3
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Commit2 JT 070918
- modified the citeme reference (replaced by the JCP one)
- same modification in doc and src/SPIN
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2018-07-10 09:44:14 -04:00 |
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9d5dc561ca
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Commit1 JT 070918
- created README in examples/SPIN
- modified doc/src/set.txt to define 'spin' and 'spin/random' keywords
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2018-07-10 09:44:14 -04:00 |
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199c96f985
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update and clarify the choice of atom ids for angle style dipole (which is not really an angle potential)
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2018-07-10 09:22:41 -04:00 |
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ad4f61a5ce
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update fatbin makefile for libgpu.a to latest additions
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2018-07-10 09:07:54 -04:00 |
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55980294f1
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Fix issues in atom_vec_sphere_kokkos
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2018-07-09 18:47:17 -06:00 |
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13338bf8cb
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small changes to Trung body files
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2018-07-09 16:15:15 -06:00 |
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ee98d026dc
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preliminary documentation added (to be improved)
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2018-07-09 14:28:25 -06:00 |
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75ec0a6a99
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remove HTML file
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2018-07-09 14:17:21 -06:00 |
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3a824b3a4b
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mods to Sergey's files
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2018-07-09 14:16:46 -06:00 |
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dd38318f5f
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adjustments to indention and line lengths (<=80 now)
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2018-07-09 14:12:06 -06:00 |
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4c4d8372e4
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removed C++ std::cout I/O and replaced it with printf
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2018-07-09 14:01:06 -06:00 |
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dbfea0e617
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update folder structure to comply to LAMMPS contribution rules
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2018-07-09 13:53:31 -06:00 |
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f698e37bf2
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merged latest version of CMakeLists.txt with custom one (adding USER-SCAFACOS)
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2018-07-09 13:41:35 -06:00 |
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4743bb3c30
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rename of the ScaFaCoS package
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2018-07-09 13:35:46 -06:00 |
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400ae72267
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added tolerance to the example
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2018-07-09 13:18:28 -06:00 |
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b259de95d2
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fix for ScaFaCoS library
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2018-07-09 13:00:52 -06:00 |
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c84ae38e34
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Fixed installation scripts for PLUMED
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2018-07-09 17:27:41 +01:00 |
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43cdca80f2
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Fixed passing of charges
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2018-07-09 15:06:10 +01:00 |
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0c1dcfb617
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Favor copymode instead of cleanup_copy
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2018-07-06 17:06:37 -06:00 |
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ee98daeba5
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Fix bug in atom_vec_sphere_kokkos
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2018-07-06 16:47:55 -06:00 |
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2cd95d1a99
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Fix misnamed variable in comm_kokkos
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2018-07-06 15:47:14 -06:00 |
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