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41e24f6e8b
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update log files for gcmc example
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2018-11-29 12:35:07 -05:00 |
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c763916f9e
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update log files for granregion hugoniostat and indent examples
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2018-11-28 21:21:54 -05:00 |
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48a408bb19
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update log files for friction example
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2018-11-28 18:42:48 -05:00 |
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8e07aaf005
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update log files for ellipse and flow examples
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2018-11-28 16:16:19 -05:00 |
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4a8f1a7a08
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update log files for eim example
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2018-11-28 16:11:15 -05:00 |
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37289f7476
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update log files for dipole and dreiding example inputs. add running some MD steps for dreiding
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2018-11-28 16:07:12 -05:00 |
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3ce61c42d6
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update log files for crack and deposit examples
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2018-11-28 16:01:42 -05:00 |
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98c8f22046
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update log files for coreshell examples
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2018-11-28 15:56:58 -05:00 |
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296cab0b09
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update log files for controller example
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2018-11-28 15:40:14 -05:00 |
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ab924e4f1d
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update log files for comb examples
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2018-11-28 15:38:11 -05:00 |
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852916983a
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update logs for colloid example
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2018-11-28 14:53:29 -05:00 |
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d0a83e9e12
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update cmap example logfiles
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2018-11-28 14:51:19 -05:00 |
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2ed90c1669
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update log files for body examples
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2018-11-28 14:46:47 -05:00 |
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c428088554
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update logfiles for balance examples
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2018-11-28 14:40:20 -05:00 |
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77e7362168
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update log files for airebo and atm examples
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2018-11-28 14:28:20 -05:00 |
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2d0d08093b
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Another attempt to add Lebedeva potential
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2018-11-28 09:33:44 +01:00 |
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a91d89b516
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avoid array overflows and silence compiler warnings from unused parameters
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2018-11-21 09:24:10 -05:00 |
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dcffeb546f
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update AIREBO/REBO examples and provide references for rebo and airebo with LJ and TORSION turned off
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2018-11-20 13:56:46 -05:00 |
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9f960baa4f
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restore USER-ATM package data files taken from CVS repo
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2018-11-20 09:17:02 -05:00 |
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a7bfb30043
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update atc/cauchy_born examples with missing files
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2018-11-16 23:03:47 -05:00 |
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d66a1ac054
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Commit JT 111318
- corrections pair/spin/dipolar/long
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2018-11-13 17:03:32 -07:00 |
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5062c43aea
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rename example outputs
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2018-11-12 12:32:53 -07:00 |
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3b7ebbb8df
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new hyper examples
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2018-11-12 12:32:53 -07:00 |
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d7a479d2f6
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hyper example dir
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2018-11-12 12:32:52 -07:00 |
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9727fdc473
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Commit JT 110818
- correct bug (match ewald/disp results for vir)
- started correct mag. part
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2018-11-08 16:17:43 -07:00 |
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e0955f6434
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Merge branch 'master' into sdpd to resolve merge conflicts
# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
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2018-11-08 16:32:02 -05:00 |
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a6e9b99295
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Merge pull request #1180 from gtribello/master
Add natively supported PLUMED interface to LAMMPS
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2018-11-08 16:16:50 -05:00 |
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a37d718ed1
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update bond/react examples
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2018-11-03 12:01:00 -06:00 |
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badfdd7433
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download only the plumed-src package and include further tweaks to be compatible with plumed 2.5b
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2018-11-03 00:21:10 -04:00 |
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ac11d66d5a
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provide reference logfiles and move generated files to reference folder
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2018-11-02 23:28:09 -04:00 |
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1b98c0e40d
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Merge remote-tracking branch 'lammps/master' into kim-v2-update
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2018-10-30 18:40:55 -05:00 |
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ba6f6f73f1
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first commit: added SDPD
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2018-10-30 17:40:00 +03:30 |
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ff9f836be4
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Merge remote-tracking branch 'upstream/master'
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2018-10-26 22:01:05 +01:00 |
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1d38f2d725
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Merge pull request #1165 from akohlmey/refactor-kspace-base-class
Refactor kspace base class to have a settings() method
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2018-10-23 10:35:12 -04:00 |
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76a2a9ab0a
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Fixed normalization error for ordinate degree
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2018-10-20 17:16:47 -06:00 |
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8223f5e0a3
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Eliminated another initialization error and tweaked rdf-adf example
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2018-10-20 16:46:45 -06:00 |
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2140caa6f5
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add an example for RDF and ADF computation with water molecules
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2018-10-20 08:12:02 -04:00 |
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da84138475
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correct scafacos input example
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2018-10-19 15:31:53 -04:00 |
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a745a0aed0
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Commit JT 100318
- correction forces ewald_dipole
- correction mag. dipolar energy
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2018-10-03 10:23:58 -06:00 |
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f61f43a56b
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Merge branch 'master' into kim-v2-update
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2018-10-01 21:17:26 -05:00 |
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19aaf294e5
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Commit JT 092718
- renamed pair/spin/long functions
- started to work on debugging ewald_dipole (force errors)
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2018-09-27 10:46:52 -06:00 |
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5a6226caa5
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jive src headers with doc page entries and example scripts
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2018-09-25 10:50:43 -06:00 |
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6b4303c405
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Commit2 JT 092418
- initialized g_ewald before Newton solver
- mu2 is now adim in ewald_dipole_spin
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2018-09-24 16:40:59 -06:00 |
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53a779067e
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Commit JT 092418
- ewald_dipole_spin added
- accuracy problem (with eval of gewald and Newton solver)
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2018-09-24 10:59:17 -06:00 |
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cce9fe4a34
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Commit2 JT 092118
- created pair_spin_dipolar_cut
- real-space short-range calc of the spin dipolar interaction
- run and check valgrind ok
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2018-09-21 09:55:41 -06:00 |
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82a5346ab1
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Commit JT 091418
- created pair_spin_long_qsymp
- modified ewald_dipole
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2018-09-14 15:09:59 -06:00 |
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44fcdc4024
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update reference examples with versions that do not vary by MPI rank count
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2018-09-06 21:20:47 -04:00 |
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947f574503
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Merge branch 'master' into compute_mop
# Conflicts:
# cmake/CMakeLists.txt
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2018-09-06 21:13:42 -04:00 |
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0c92c22755
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moved contents of USER-MOP package to USER-MISC as suggested by @sjplimp
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2018-09-05 10:56:12 -04:00 |
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d3d16882ca
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remove note for Rene
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2018-09-05 08:12:19 -06:00 |
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