lammps:a7ad12491f3ec8ce73e5fc0db20062f859809d13 commits - 南方科技大学

Merge pull request #706 from lammps/doc-cs

2017-10-21T16:12:23-06:00

update to doc pages for new coreshell pair styles

2017-10-21T15:50:27-06:00

Merge pull request #705 from akohlmey/fix_rigid_bugfix

2017-10-20T17:01:50-06:00

fix segfault bug in fix rigid/small found by regression testing

Merge pull request #670 from vishalkenchan/pair_style/coul_wolf_cs

2017-10-20T16:09:33-06:00

add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package

fix segfault bug for in fix rigid/small found by regression testing

2017-10-20T16:56:06-04:00

Merge pull request #703 from akohlmey/custom-rigid-body-generation

2017-10-20T14:08:15-06:00

Allow rigid body generation from custom properties

Merge pull request #704 from akohlmey/bond-gromos-bugfix

2017-10-20T14:06:35-06:00

Compute energy correctly for bond style gromos

Merge pull request #702 from giacomofiorin/colvars-fix-the-fix

2017-10-20T14:06:15-06:00

Fix a Colvars error that was hidden by the previous segfault

compute energy correctly for bond style gromos

2017-10-20T14:53:22-04:00

update fix rigid documentation

2017-10-20T14:18:50-04:00

add/correct code to define rigid bodies with atomstyle/atomfile variables and...

2017-10-20T13:56:09-04:00

add/correct code to define rigid bodies with atomstyle/atomfile variables and via custom per-atom properties

add input examples for custom rigid body definition

2017-10-20T13:54:45-04:00

Fix a Colvars error that was hidden by the previous segfault

2017-10-20T13:41:31-04:00

added some documentation and reference example

2017-10-20T12:03:22+02:00

Merge pull request #700 from giacomofiorin/colvars-fix

2017-10-19T11:45:36-06:00

Import segfault fix in Colvars module

2017-10-19T08:09:44-04:00

add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package

2017-10-19T13:21:13+02:00

Merge pull request #699 from lammps/doc-update2

2017-10-18T16:44:18-06:00

cross ref fix deform and new fix nvt/uef in doc pages

cross ref fix deform and new fix nvt/uef

2017-10-18T15:26:15-06:00

Merge pull request #698 from lammps/doc-update

2017-10-18T15:24:54-06:00

small updates to recently added docs and rename of an example dir

2017-10-18T14:56:47-06:00

Merge pull request #671 from danicholson/user-uef

2017-10-18T13:38:56-06:00

USER-UEF package for extensional flow

Merge pull request #669 from urpedersen/master

2017-10-18T13:31:15-06:00

fix rhok - biasing long-range order

Merge pull request #694 from akohlmey/bond-gromos

2017-10-18T13:27:15-06:00

Add gromos bond style

Merge pull request #697 from andeplane/fix_heat_bug

2017-10-18T13:26:19-06:00

Avoid checking region when not specified

Merge pull request #695 from timattox/USER-DPD_small_updates

2017-10-18T13:25:48-06:00

USER-DPD small updates

Merge pull request #696 from wmbrownIntel/intel-update-oct17

2017-10-18T13:25:07-06:00

Bug fix for unexpected case where a Intel bonded style is specified but there are no types

Merge pull request #688 from lammps/history

2017-10-18T13:24:36-06:00

refactoring of neighbor history

Avoid checking region when not specified

2017-10-18T18:05:34+02:00

update multi-threaded neighbor list build for neighbor list refactor

2017-10-18T11:25:15-04:00

update respa/omp integrator style for neighbor list refactor

2017-10-18T11:24:44-04:00

update several pair styles to be compliant with refactored respa lists data s...

2017-10-18T11:24:12-04:00

more changes to rRESPA neighbor lists

2017-10-17T17:33:01-06:00

USER-INTEL: Bug fix for case where a bond/angle/dihedral/improper style is...

2017-10-16T22:51:56-07:00

USER-INTEL: Bug fix for case where a bond/angle/dihedral/improper style is specified, but there are no bond/... types and therefore no allocation.

add gromos bond style

2017-10-16T14:57:12-04:00

Merge branch 'history' of github.com:lammps/lammps into history

2017-10-16T14:37:30-04:00

USER-DPD Kokkos: propagate the new neigh_modify options from efaa4c67

2017-10-16T13:37:27-05:00

Propogate the changes to npair_ssa_kokkos from npair_kokkos that support the new neigh_modify exclude molecule/intra and /inter options. Note: npair_ssa_kokkos could inherit from npair_kokkos to avoid this kind of missed change. Unfortunately, inheritance from templated classes is both tricky and messy, and not worth the complexity in this case, IMHO.

update USER-OMP code for shear history neighbor refactoring

2017-10-16T14:37:20-04:00

USER-DPD: remove unused coord2bin() variants, and add ISFINITE checks

2017-10-16T13:36:44-05:00

Merge pull request #693 from giacomofiorin/colvars-update

2017-10-13T17:25:06-06:00

Update Colvars to version 2017-10-11