History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
ffa906de6ff6 | Axel Kohlmeyer | add C++ format identifiers to .h files | Jun 20 2017 | |||
f5047ac3c7f9 | Axel Kohlmeyer | augment fix shardlow check for ordering fixes to be KOKKOS compatible | Jun 19 2017 | |||
8728a8ddae67 | Axel Kohlmeyer | restore heuristics for checking against integrators that broke after PR #499… | Jun 15 2017 | |||
30babd81570f | sjplimp/GitHub | Merge pull request #485 from akohlmey/pair_settings_cut_bugfix | May 18 2017 | |||
7f9a331c7355 | Steve Plimpton | bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue | May 16 2017 | |||
51fc386e7224 | Axel Kohlmeyer | correct the inner loop range for resetting cutoffs when redefining a pair style | May 16 2017 | |||
c041727e4fed | Axel Kohlmeyer | remove dead code and reduce trivial compiler warnings (clang++) | Mar 27 2017 | |||
d31c591b60f7 | Stan Moore | Remove unneeded restart_peratom flags | Mar 17 2017 | |||
42d3a8f4982d | Tim Mattox | Fix spelling "correction" from 3a054d1a: iterations not interactions. :-) | Mar 7 2017 | |||
920641bbffbc | sjplimp/GitHub | Merge pull request #399 from rbberger/docs_spelling_fixes | Mar 7 2017 | |||
3a054d1a82b2 | Richard Berger | Fix more typos in src files | Mar 7 2017 | |||
763a00e8b02e | Tim Mattox | USER-DPD: pair_multi_lucy_rx bugfix for systems with multiple atom types | Mar 3 2017 | |||
9a560b90914c | Tim Mattox | USER-DPD bugfix: make atom_vec_dpd work properly with atom_vec_hybrid. We were… | Mar 1 2017 | |||
1dc78a7e58c8 | Tim Mattox | USER-DPD: correct off-by-one errors in PairMultiLucyRX::coeff() | Feb 28 2017 | |||
7a593c2fc886 | Tim Mattox | USER-DPD: correct off-by-one errors in PairTableRX::coeff() | Feb 28 2017 | |||
cb9d42da0896 | sjplimp/GitHub | Merge pull request #378 from timattox/USER-DPD_ssa_update | Feb 21 2017 | |||
1cd4c48cccdb | Steve Plimpton | new SNAP potential for W | Feb 21 2017 | |||
15008c9d1889 | Tim Mattox | USER-DPD: performance optimizations to ssa_update() in fix_shardlow Overall… | Feb 13 2017 | |||
c8260af37cc0 | Christopher Stone | Possible uninitialized variable in USER-DPD/pair_exp6_rx.cpp bugfix. | Jan 23 2017 | |||
f8d3c4c7403d | sjplimp/GitHub | Merge pull request #345 from timattox/USER-DPD_another_zero_compute | Jan 20 2017 | |||
9a299875dade | Steve Plimpton | simplified neighbor list copying to avoid possible same-timestep re-build issues | Jan 20 2017 | |||
f6cd98636b8b | Tim Mattox | USER-DPD: Also apply "check if a0 is zero" optimization to pair_dpd_fdt This… | Jan 18 2017 | |||
05cafb716fcb | Tim Mattox | USER-DPD: cleanup initialization of splitFDT_flag in pair_dpd_fdt.cpp | Jan 18 2017 | |||
7fc097058708 | sjplimp/GitHub | Merge pull request #344 from timattox/USER-DPD_zero_compute | Jan 18 2017 | |||
4eb08a5822c5 | Tim Mattox | USER-DPD: Skip a0*stuff computations, if a0 was set to zero in pair_coeff. This… | Jan 17 2017 | |||
01609f55e2b3 | Tim Mattox | USER-DPD: bugfix for a segfault when using MOLECULE and DPD together. | Jan 17 2017 | |||
fa00e0593fc7 | Stan Gerald Moore (stamoor) | Make fix_rx request its own neighbor list | Jan 14 2017 | |||
d4e8d4738769 | sjplimp/GitHub | Merge pull request #306 from timattox/USER-DPD_updates | Jan 6 2017 | |||
f6a819580c6b | Steve Plimpton | pair TIP4P bug fix for cutoffs >> box size | Jan 6 2017 | |||
a1036f2d74be | Tim Mattox | USER-DPD: bugfix for new PairExp6rx::polynomialScaling() function. | Dec 23 2016 | |||
3faa57a413d2 | Tim Mattox | USER-DPD: Several updates to *_rx files: 1) Added MY_EPSILON to handle machine… | Dec 22 2016 | |||
fa435fb51464 | Tim Mattox | USER-DPD: remove unused variable, and convert some constants to MY_EPSILON | Dec 22 2016 | |||
c4e02a5d2b60 | Tim Mattox | USER-DPD: more whitespace fixes | Dec 20 2016 | |||
2ba424e1a36e | Tim Mattox | USER-DPD: Whitespace cleanup to pair_dpd_fdt_energy.cpp | Dec 19 2016 | |||
eff7238ff224 | Tim Mattox | USER-DPD: fix_eos*: partition all internal energy into the uMech term only This… | Dec 16 2016 | |||
126fb22e9355 | Tim Mattox | USER-DPD: Fix #define typo in pair_multi_lucy.h and pair_multi_lucy_rx.h | Dec 16 2016 | |||
0a90492c4447 | Tim Mattox | USER-DPD: Update the header files to properly document all error statements… | Dec 15 2016 | |||
fed629c23e56 | Tim Mattox | USER-DPD: Bugfix for fix_rx and fix_eos_table_rx to handle restart files. Patch… | Dec 15 2016 | |||
925481c3f40d | Tim Mattox | USER-DPD: Fix hard-wall force interaction bug, and ensure fraction is >= 0… | Dec 15 2016 | |||
5187cb97e5f1 | Tim Mattox | USER-DPD: Make fix_shardlow request its own SSA-specific neighbor list, instead… | Dec 9 2016 | |||
39a12b15d7ea | Axel Kohlmeyer | Merge branch 'master' into new-neighbor | Dec 7 2016 | |||
e175a18bdbd0 | Axel Kohlmeyer | be more thorough in initializing optional data in pair style dpd/fdt/energy | Nov 18 2016 | |||
616420cda841 | Anders Hafreager | Initializing pointers in USER-DIFFRACTION and USER-DPD | Nov 7 2016 | |||
35753b8f089e | Axel Kohlmeyer | add error location propagation to force->bounds() and force->boundsbig() | Oct 26 2016 | |||
909ec2c09658 | Axel Kohlmeyer | remove unused class members | Oct 14 2016 | |||
fcb52710267a | Tim Mattox | USER-DPD: Initialize the dpdThetaLocal array consistently in fix_rx | Oct 12 2016 | |||
4958e114bac6 | Tim Mattox | USER-DPD bugfix: Properly initialize the local temperature averaging array. | Oct 12 2016 | |||
4a5d9eaae23c | sjplimp/GitHub | Merge pull request #217 from akohlmey/small-fixes | Oct 12 2016 | |||
4e3a55047f0e | sjplimp/GitHub | Merge pull request #215 from timattox/USER-DPD_bugfix_for_dtsqrt | Oct 12 2016 | |||
c24bf512f31a | Axel Kohlmeyer | update #include statements for system includes | Oct 12 2016 | |||
adc98e07df5d | Axel Kohlmeyer | whitespace cleanup in USER-DPD | Oct 12 2016 | |||
2f07a627a27d | Tim Mattox | Forgot to remove my call to reset_dt() | Oct 11 2016 | |||
559637f4bcae | Tim Mattox | USER-DPD Bugfix: reset_dt() is not called when I thought it should be called. | Oct 11 2016 | |||
fbf7df14b55f | sjplimp/GitHub | Merge pull request #212 from timattox/USER-DPD_fix_eos_atom_style_checks | Oct 11 2016 | |||
a2b084006467 | Tim Mattox | USER-DPD: Add atom_style compatibility checks in fix_eos_*.cpp files. | Oct 10 2016 | |||
9507a786f013 | Tim Mattox | USER-DPD: whitespace and indentation fixes | Oct 7 2016 | |||
e27ed6c94a2e | Tim Mattox | USER-DPD: Added support to use VV integrator with USER-DPD if desired. Includes… | Oct 7 2016 | |||
60a031ebacef | Axel Kohlmeyer | Merge branch 'USER-DPD_pair_exp6_rx_mathfix' of https://github. | Oct 6 2016 | |||
27e76a70b9d7 | Axel Kohlmeyer | Merge branch 'USER-DPD_hybrid_atom_bugfix' of https://github. | Oct 6 2016 | |||
e1e9a5c12604 | Tim Mattox | USER-DPD: math corrections in pair_exp6_rx.cpp (by Jim Larentzos) | Oct 6 2016 | |||
d31121b18cde | Tim Mattox | USER-DPD: bugfix in unpack_comm_hybrid(); now works with hybrid atom style | Oct 6 2016 | |||
f9f955d5b5d0 | Axel Kohlmeyer | update include statement format | Oct 6 2016 | |||
2f02d9846976 | Axel Kohlmeyer | remove USER-DPD files that should not be where they are | Sep 9 2016 | |||
81fcbcd99cd0 | Tim Mattox | USER-DPD: move nstencil_ssa out of core LAMMPS into USER-DPD | Sep 9 2016 | |||
82c6eb467539 | Tim Mattox | USER-DPD: Set missing NP_HALF flag in npair_half_bin_newton_ssa.h | Sep 9 2016 | |||
8ed3f4226e5b | Tim Mattox | USER-DPD: move custom binning stuff to a NBinSSA child class. Removes most SSA… | Sep 9 2016 | |||
c9c2ae6c6134 | Steve Plimpton | new neighbor list changes | Sep 7 2016 | |||
cff65b956adc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15355 f3b2605a-c512-4ea7… | Jul 23 2016 | |||
472fe29a8997 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15328 f3b2605a-c512-4ea7… | Jul 16 2016 | |||
a33753ae6f46 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7… | Jul 9 2016 | |||
a329a724b2a5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15253 f3b2605a-c512-4ea7… | Jul 2 2016 | |||
ab2fe0113ef4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15223 f3b2605a-c512-4ea7… | Jun 28 2016 | |||
d55f968432a4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7… | Jun 18 2016 | |||
9fbe66667723 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15119 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
2927a9aee1f3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15118 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
876b033ea862 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7… | May 31 2016 | |||
edbb8bc31d8e | athomps | Fixed uninitialized variables | May 25 2016 | |||
3fc88d920587 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15044 f3b2605a-c512-4ea7… | May 12 2016 | |||
6e5353e844c1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15025 f3b2605a-c512-4ea7… | May 11 2016 | |||
e4ea9c065801 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7… | Feb 17 2016 | |||
b2d417f5d722 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14552 f3b2605a-c512-4ea7… | Feb 4 2016 | |||
de6ff01ba7e9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14542 f3b2605a-c512-4ea7… | Feb 3 2016 |
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