lammps/exampleslammm-devel
lammps/examples
lammm-devel
History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| b45fb6713b7f | junge | state at discussion with daniele | Oct 20 2017 | |||
| 1ebe65076d3b | junge | final state cneuronet | Oct 20 2017 | |||
| 49f2159c2cd8 | junge | Confirmed correct behaviour in two-atom system | Oct 20 2017 | |||
| eb9ef2452b83 | junge | First time functional looking | Oct 20 2017 | |||
| 0683d7d23ba0 | junge | mostly tested, ready to go main | Oct 20 2017 | |||
| a87e5f381f0d | junge | Verified, yields identical results to pmd | Oct 20 2017 | |||
| 545da2f40cea | junge | Ryo's neuronet without Memory issues, not tested yet | Oct 19 2017 | |||
| 281b1dc37571 | Steve Plimpton | small updates to recently added docs and rename of an example dir | Oct 18 2017 | |||
| e93f8f888975 | Steve Plimpton/GitHub | Merge pull request #671 from danicholson/user-uef | Oct 18 2017 | |||
| 957263431aaf | Ulf R. Pedersen/GitHub | Ensure consistency with documentation | Oct 4 2017 | |||
| f07719e924b2 | Axel Kohlmeyer | make fix rhok examples more consistent with LAMMPS conventions: | Oct 3 2017 | |||
| 5f527091b8a6 | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| 30aaa7e47bb5 | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| 74dcf0bf9bfc | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| e9b07a7a1092 | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| fd8f5f8f9e48 | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| 5c59eb637bca | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| 250ef9f837be | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| e44f370d4949 | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| 1e790fbafef8 | Ulf R. Pedersen/GitHub | Update readme.md | Oct 3 2017 | |||
| 35cc79597261 | Ulf R. Pedersen/GitHub | Update in.setup | Oct 3 2017 | |||
| 245bf745521d | Ulf R. Pedersen/GitHub | Rename setup.lmp to in.setup | Oct 3 2017 | |||
| 7e8bbe84814b | Ulf R. Pedersen/GitHub | Rename pinning.lmp to in.pinning | Oct 3 2017 | |||
| e6d687faaca5 | Ulf R. Pedersen/GitHub | Rename crystal.lmp to in.crystal | Oct 3 2017 | |||
| 1dffb0cf82ad | David Nicholson | reran npt_biaxial examples | Oct 3 2017 | |||
| 00aef0fe0014 | Axel Kohlmeyer | rerun logfiles for USER-UEF example inputs | Oct 2 2017 | |||
| 4ef63feea7d3 | David Nicholson | reran examples | Sep 29 2017 | |||
| 855b6000efcb | David Nicholson | initial commit. doc is in the works | Sep 28 2017 | |||
| 34c1adb4dd20 | Ulf R. Pedersen | Merge https://github.com/lammps/lammps | Sep 28 2017 | |||
| f1aea57e300e | Ulf R. Pedersen/GitHub | Update readme.md | Sep 25 2017 | |||
| b35f2ff8b44b | Ulf R. Pedersen | Example of Interface Pinning Computation | Sep 25 2017 | |||
| ee487ef4aa4f | Steve Plimpton/GitHub | Merge pull request #652 from junghans/latte | Sep 22 2017 | |||
| a8ae8866676e | Steve Plimpton | update fix latte examples and virial | Sep 21 2017 | |||
| 3381a4337887 | Ulf R. Pedersen | Added readme.m | Sep 21 2017 | |||
| 73708b091c42 | Ulf R. Pedersen | Added readme file, and removed old files | Sep 21 2017 | |||
| 5e35ab251b23 | Christian Negre | fixed sucrose | Sep 21 2017 | |||
| ad25a9529758 | Axel Kohlmeyer | whitespace cleanup | Sep 20 2017 | |||
| e7d042ba1a0e | Axel Kohlmeyer | convert DOS/Windows CR-LF line endings to native format | Sep 20 2017 | |||
| dd49d54889a2 | Steve Plimpton | new SNAP potentials and examples | Sep 20 2017 | |||
| ac897ea6457c | Steve Plimpton | LATTE package doc update and some small code changes | Sep 20 2017 | |||
| 5f1842829e48 | Axel Kohlmeyer | activate virial contribution in `fix lb/rigid/pc/sphere` by default and protect… | Sep 18 2017 | |||
| 2f6be88c4a4b | Christoph Junghans | Merge remote-tracking branch 'origin/master' into exaalt | Sep 8 2017 | |||
| 7b1542a0ba2b | Richard Zamora | merging stable and exaalt branches into exaaltstable | Sep 8 2017 | |||
| 4161868bcf69 | Steve Plimpton/GitHub | Merge pull request #640 from ohenrich/user-cgdna | Sep 6 2017 | |||
| b1706060529b | Steve Plimpton/GitHub | Merge pull request #620 from amilumas/master | Sep 5 2017 | |||
| 12fe614ddf58 | Oliver Henrich | Added sequence-dependent stacking and base-pairing strength | Sep 5 2017 | |||
| 4d2ed30b3526 | Axel Kohlmeyer | add reference outputs to temper/npt example | Aug 31 2017 | |||
| f3dda30f8ef3 | Axel Kohlmeyer | fully integrate temper/npt command into manual | Aug 31 2017 | |||
| a5b65c1af48c | Julien Devemy | Mods for extra/special/per/atom and add toluene | Aug 31 2017 | |||
| 6a4bbddb3b7a | Amulya/GitHub | Add files via upload | Aug 28 2017 | |||
| 2add18e013dd | Amulya/GitHub | Create in.temper_npt | Aug 28 2017 | |||
| f945d4567d4f | Steve Plimpton | new USER-MESO package | Aug 19 2017 | |||
| 7d0d701eaf09 | Axel Kohlmeyer | add reference outputs for QUIP/GAP example | Jul 28 2017 | |||
| 85120842dd84 | Axel Kohlmeyer | update QUIP examples to closer match typical LAMMPS examples | Jul 28 2017 | |||
| da7a5f55d3e4 | Axel Kohlmeyer | Merge branch 'kim-install' into install-and-docs-reviewed | Jul 27 2017 | |||
| 1ddace4dba51 | sjplimp/GitHub | Merge pull request #595 from libAtoms/idces2quip | Jul 24 2017 | |||
| 1afab981b022 | Max Veit | Clarified some points in in.molecular example | Jul 22 2017 | |||
| 1af937e99d71 | Axel Kohlmeyer/GitHub | Update in.molecular | Jul 22 2017 | |||
| 4e0a249e2779 | Max Veit | Add a (contrived) molecular example for USER-QUIP | Jul 22 2017 | |||
| b1b399d5c3dd | Axel Kohlmeyer | update readme for examples | Jul 21 2017 | |||
| 59db5f6a1782 | Steve Plimpton | update of Fortran-DFTB interface to be compatible with fix msst | Jul 20 2017 | |||
| 3cd597e948fa | sjplimp/GitHub | Merge pull request #585 from akohlmey/make-py-manual-cleanup | Jul 20 2017 | |||
| bdd2f3a6b2c7 | Axel Kohlmeyer | remove references to Make.py and USER-CUDA | Jul 20 2017 | |||
| 49b4cf9a770c | Axel Kohlmeyer | remove references to Make.py and USER-CUDA | Jul 18 2017 | |||
| d9186c8fde6d | Axel Kohlmeyer | Revert "use neighbor list exclusions instead of a zero cutoff" | Jul 18 2017 | |||
| 296e572e6998 | Steve Plimpton | better Install.py script for KIM from Ryan Elliott | Jul 15 2017 | |||
| bbb4d63db980 | Axel Kohlmeyer | use neighbor list exclusions instead of a zero cutoff | Jul 14 2017 | |||
| 1c92eecea7fc | Axel Kohlmeyer | move updated gauss_flow example to the correct folder | Jul 14 2017 | |||
| 14f1d646ad76 | Axel Kohlmeyer | provide working examples for all four peridynamics models and reference outputs | Jul 14 2017 | |||
| 4d4c03a1e4f5 | Axel Kohlmeyer | restore gaussian flow example that was lost. tweak input to make it usable for… | Jul 14 2017 | |||
| 9988030409f9 | sjplimp/GitHub | Merge pull request #563 from akohlmey/airebo-example | Jul 13 2017 | |||
| a3a0c9b144c5 | sjplimp/GitHub | Merge pull request #570 from akohlmey/collected-small-changes | Jul 13 2017 | |||
| e58bcd8b4aa4 | sjplimp/GitHub | Merge pull request #568 from akohlmey/fix_gcmc_parallel_workaround | Jul 13 2017 | |||
| d3a45f6d5057 | sjplimp/GitHub | Merge pull request #560 from aershadinia/master | Jul 13 2017 | |||
| ddc96213255a | Axel Kohlmeyer | remove absolutely last reference to xmovie | Jul 12 2017 | |||
| 92395e9bb412 | Axel Kohlmeyer | disallow MC moves with fix rigid and fix shake active. update examples and add… | Jul 10 2017 | |||
| 7193fffe0d1c | Axel Kohlmeyer | make example input / output conform with LAMMPS conventions (no dump files, no… | Jul 6 2017 | |||
| 47649ff50f3a | Abdo | some edits to make examples more illustrative. | Jul 6 2017 | |||
| fa469ae1d0b2 | Axel Kohlmeyer | add polyethylene airebo example for future reference | Jul 5 2017 | |||
| d451dbb1a079 | Axel Kohlmeyer | adjust EES wall input example to print out some thermodynamic info that can be… | Jul 5 2017 | |||
| 8e279d4ec84e | Abdo | Examples moved | Jul 5 2017 | |||
| f670dba3d019 | Steve Plimpton | 3rd variant of Fortran wrapper for DFTB+ calling LAMMPS | Jul 3 2017 | |||
| 6fc0a94e8783 | sjplimp/GitHub | Merge pull request #524 from martok/package-meamc | Jul 3 2017 | |||
| db73eca29f59 | Axel Kohlmeyer | correct example inputs for recent changes to create_bonds command | Jul 3 2017 | |||
| 1fff30af90e7 | Axel Kohlmeyer | update or create example outputs for meam and meam/c | Jun 30 2017 | |||
| b0ddabbcde94 | Axel Kohlmeyer | update examples for fix filter/corotate to comply with new CHARMM restrictions | Jun 22 2017 | |||
| 72a1364d854f | Axel Kohlmeyer/GitHub | Merge branch 'master' into package-meamc | Jun 20 2017 | |||
| d2610d9e7c0d | Steve Plimpton | minor changes to NEB doc pages and examples | Jun 20 2017 | |||
| 8988b692a392 | Emile Maras | modified the documentation, first and last freeend can have different spring… | Jun 19 2017 | |||
| 9b9f6d6fe2f4 | Steve Plimpton | USER-INTEL upgrade from M Brown | Jun 17 2017 | |||
| 1a29048940e9 | sjplimp/GitHub | Merge pull request #531 from ohenrich/user-cgdna | Jun 15 2017 | |||
| 0a6b3f87901c | sjplimp/GitHub | Merge pull request #527 from dstelter92/master | Jun 15 2017 | |||
| a4bc233d8631 | sjplimp/GitHub | Merge pull request #525 from akohlmey/user-tally-refactor | Jun 15 2017 | |||
| 9a7207e34cb4 | sjplimp/GitHub | Merge pull request #511 from akohlmey/add-compute-cnp | Jun 15 2017 | |||
| 34cfc7bd514b | sjplimp/GitHub | Merge pull request #490 from EmileMaras/NEB-Change | Jun 15 2017 | |||
| c98bb7fa5f2a | Oliver Henrich | Corrected minor bug in utility script | Jun 15 2017 | |||
| 77ca68a2b4da | Oliver Henrich | Changed affiliation | Jun 15 2017 | |||
| e7634a44f442 | dstelter92 | updated thermo_modify in example | Jun 14 2017 | |||
| 3214d639aa2e | dstelter92 | removed unneeded .gitignore | Jun 14 2017 | |||
| 0ad66ecb89dc | dstelter92 | Added compute_scalar to fix_grem for easier output managment, updated example… | Jun 14 2017 |
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