Graphlammm-devel
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lammm-devel
History Graph
History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 52399ecabab2 | Axel Kohlmeyer | print some reasonable approximation of the communication cutoff. | Jul 7 2015 | ||||
| 8749c91a3ce8 | athomps | Changed algorithm for generating rotation axis | Jul 7 2015 | ||||
| f03b5a8036fa | athomps | Fixed problem with image flags in attempt_molecule_insertion_full() and cleaned… | Jul 7 2015 | ||||
| 330b716a1cc7 | Axel Kohlmeyer | fix documentation | Jul 7 2015 | ||||
| 05e77f8ca045 | Axel Kohlmeyer | fix bug in second reading of bop potential file | Jul 7 2015 | ||||
| 93b7ae077939 | Axel Kohlmeyer | correct output bug in final wall time message | Jul 7 2015 | ||||
| 4e9e96d71398 | Axel Kohlmeyer | also compile voro++ executable for other uses | Jul 7 2015 | ||||
| 5699b1e50e17 | Axel Kohlmeyer | strip off ^Ms | Jul 7 2015 | ||||
| ab2e5c5366bc | Axel Kohlmeyer | support exception handling | Jul 7 2015 | ||||
| 468d139cac5b | Axel Kohlmeyer | re-introduce past cleanups and bugfixes for BOP | Jul 7 2015 | ||||
| 42ff3a7abaff | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 7 2015 | ||||
| 217fdbc36076 | athomps | Added DATE reporting for parameter file | Jul 6 2015 | ||||
| e60ccb6f9ad3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13533 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 819276d7bb7d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13532 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 0ab61a40ca21 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13531 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| fc933f28ff7e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13530 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| a0163ac95631 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13529 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 1cfff7229587 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13528 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 5aafb054869e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13527 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| da4f029cfb52 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13526 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 4155d707486b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13525 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 480fdccae148 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13524 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| dd8b6a6a6d2f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13522 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 5622ae88b41f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13521 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 29557ef39319 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13519 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| a60a08840398 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13518 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 6f3946bab5e1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13517 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 9d3ab0f52f62 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13515 f3b2605a-c512-4ea7… | Jul 6 2015 | ||||
| 0449d00dcade | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 3 2015 | ||||
| 90664ccd4126 | Axel Kohlmeyer | dummy entry for memory info | Jul 3 2015 | ||||
| 8db4d807260a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13513 f3b2605a-c512-4ea7… | Jul 3 2015 | ||||
| ccfea31ae52b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13512 f3b2605a-c512-4ea7… | Jul 3 2015 | ||||
| 79e142b2ca43 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13511 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| e1f553b9bd86 | Axel Kohlmeyer | support to output total CPU and wall time usage | Jul 2 2015 | ||||
| 3e3209e7e3aa | Axel Kohlmeyer | compute and output the total walltime at the end of a LAMMPS script. | Jul 2 2015 | ||||
| 050244f229df | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13510 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| 32f313c2dbbc | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 2 2015 | ||||
| 38af3b0ffb75 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13508 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| 5db1b37955a6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13507 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| ade2dca6af71 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13506 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| 7579964db779 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13505 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| b3242e1962d9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13504 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| 7abe03a595fb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13503 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| 90d0dd27d288 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13502 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| 65f55e702397 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13501 f3b2605a-c512-4ea7… | Jul 2 2015 | ||||
| a67cb068562f | stamoor | Fixing small Kokkos bug | Jul 1 2015 | ||||
| 2b605e29db7b | athomps | Describes new QUIP directory structure | Jul 1 2015 | ||||
| fe0bf706ece1 | stamoor | Small bug fix for Kokkos charmm pair styles | Jul 1 2015 | ||||
| e991597c6096 | Axel Kohlmeyer | include update/bugfix for compute ackland/atom from brian barnes | Jul 1 2015 | ||||
| afd2f6bde817 | stamoor | Fixing small bug in run-style verlet split | Jul 1 2015 | ||||
| 721b312498d6 | stamoor | Fixing small bug in Kokkos pair styles with long-range Coulombics | Jul 1 2015 | ||||
| d47d0de2b2bb | Axel Kohlmeyer | simpler way to determine the source file location | Jun 30 2015 | ||||
| 7ecae004e4ea | Axel Kohlmeyer | Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… | Jun 29 2015 | ||||
| 567d5a49cf2a | Axel Kohlmeyer | find LAMMPS shared object location for ctypes loading from introspection | Jun 29 2015 | ||||
| 6b8b7c14a64b | Axel Kohlmeyer | compile qm/mm library with -fPIC to be compatible with shared library builds | Jun 29 2015 | ||||
| b0f70de6f5bf | Axel Kohlmeyer | update handling of PATH environment to no longer kill it if too long | Jun 27 2015 | ||||
| 0b819b40d693 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jun 27 2015 | ||||
| 48445741ddda | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13494 f3b2605a-c512-4ea7… | Jun 26 2015 | ||||
| 12b5742f6c7c | athomps | Updated to new QUIP directory structure | Jun 24 2015 | ||||
| 417a56728c39 | Axel Kohlmeyer | more fixes for C++11 compatibility | Jun 17 2015 | ||||
| d35e3291a336 | Axel Kohlmeyer | removed dead code and silence warnings about C++ standard violations | Jun 17 2015 | ||||
| 8a6f24280095 | Axel Kohlmeyer | fix OpenMP incompatibility when using CUDA through nvcc | Jun 17 2015 | ||||
| cfdc159e3920 | Axel Kohlmeyer | where did the intel package examples go? | Jun 16 2015 | ||||
| 4e8b188ad073 | Axel Kohlmeyer | there are no intel examples anymore which breaks cross-compilation | Jun 16 2015 | ||||
| 47684c8f6ebb | Axel Kohlmeyer | fix bug in MPI_Type_contiguous in MPI STUBS library | Jun 16 2015 | ||||
| b951eda10798 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jun 16 2015 | ||||
| 6c44021305e9 | Axel Kohlmeyer | indicate whether groups are dynamic or static | Jun 15 2015 | ||||
| bfe96b8a900a | Axel Kohlmeyer | initialize cached result data fields for variables to "(undefined)" | Jun 15 2015 | ||||
| bc5b58246311 | Axel Kohlmeyer | improved output format. single output in parallel runs | Jun 15 2015 | ||||
| c1a0e3dd5dba | Axel Kohlmeyer | update documentation for patch by tim sirk | Jun 15 2015 | ||||
| db1599c2ecdc | Axel Kohlmeyer | remove trailing whitespace from SRP code | Jun 15 2015 | ||||
| a58542235ce3 | Axel Kohlmeyer | create unique fix ids, so that pair_style srp can be used multiple times | Jun 15 2015 | ||||
| 8e12509c39e9 | Axel Kohlmeyer | patch from tim sirk that allows applying pair_style srp to all bonds | Jun 15 2015 | ||||
| 7e606593940b | Axel Kohlmeyer | allow to request multiple info categories at a time and add support for dumps | Jun 14 2015 | ||||
| e237039c5ccb | Axel Kohlmeyer | add documentation for info command | Jun 14 2015 | ||||
| 07983068ff42 | Axel Kohlmeyer | output lists of computes, fixes and regions as well | Jun 14 2015 | ||||
| a502ab3f8325 | Axel Kohlmeyer | add box info to system output | Jun 14 2015 | ||||
| c461e8870067 | Axel Kohlmeyer | use more compact format for system output | Jun 13 2015 | ||||
| 85d38d8b8342 | Axel Kohlmeyer | print full variable information | Jun 13 2015 | ||||
| 644f25191b8a | Axel Kohlmeyer | add support for printing variable list | Jun 13 2015 | ||||
| e223ffe74bef | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13490 f3b2605a-c512-4ea7… | Jun 12 2015 | ||||
| 8c1161092b82 | Axel Kohlmeyer | new info command for displaying internal state | Jun 12 2015 | ||||
| 1638e59f30df | Axel Kohlmeyer | various bugfixes to reference /tally computes | Jun 10 2015 | ||||
| dee993230da2 | Axel Kohlmeyer | do not write/restore comm_style to/from restart as you cannot go back from… | Jun 10 2015 | ||||
| df3030925fbe | Axel Kohlmeyer | provide additional information when starting a run or minimization | Jun 10 2015 | ||||
| d5962f2788a2 | Axel Kohlmeyer | expand restart facility to contain more atom and comm information | Jun 10 2015 | ||||
| 5a723510dc6d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13489 f3b2605a-c512-4ea7… | Jun 9 2015 | ||||
| 2b2aac8912c3 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Jun 9 2015 | ||||
| 9a72a59b694c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13488 f3b2605a-c512-4ea7… | Jun 9 2015 | ||||
| b9453580a7a1 | Axel Kohlmeyer | store timestep value in restart files | Jun 8 2015 | ||||
| be6973696827 | Axel Kohlmeyer | compute temperature of linear rigid bodies more accurately | Jun 7 2015 | ||||
| 8fe37e7df345 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jun 6 2015 | ||||
| 27d94a0985cb | Axel Kohlmeyer | correctly handle hybrid pair styles in COMB and COMB3 coulomb tables | Jun 6 2015 | ||||
| c64fbc3fcf92 | Axel Kohlmeyer | protect from possible out-of-bounds accesses detected by GCC 5.1 | Jun 5 2015 | ||||
| 938c85964b82 | Axel Kohlmeyer | make library compiles compatible with building a shared object | Jun 5 2015 | ||||
| 547f57090441 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13486 f3b2605a-c512-4ea7… | Jun 4 2015 | ||||
| 52f459027094 | Axel Kohlmeyer | correct indexing cut-n-paste bug reported by loris | Jun 4 2015 | ||||
| b59c48db4b2b | Axel Kohlmeyer | improve language of error message for missing pair coefficients | Jun 4 2015 | ||||
| e642c5140ae1 | Axel Kohlmeyer | make bond_style table compatible with CR/LF files | May 27 2015 | ||||
| 877dba259391 | Axel Kohlmeyer | print warning instead of forcing a "run 0" or lmp->init when using write_dump | May 24 2015 |
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