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History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 3108093416f3 | Axel Kohlmeyer | fix logic bug in allowed numbers of arguments | Oct 9 2015 | ||||
| f375bb68a4ba | Axel Kohlmeyer | propagate using time limit for multiple integrator and minimizer variants | Oct 9 2015 | ||||
| dc0f008f6ffe | Axel Kohlmeyer | report time limit and reset number of timesteps if exiting the loop early | Oct 9 2015 | ||||
| 08e3a5ce6a72 | Axel Kohlmeyer | properly compute expired time | Oct 9 2015 | ||||
| f7f6c76a5db5 | Axel Kohlmeyer | fix typo in last commit | Oct 9 2015 | ||||
| d18d5c1434d0 | Axel Kohlmeyer | implement a wall time limit similar to HOOMD | Oct 9 2015 | ||||
| 4f89a9806da0 | Axel Kohlmeyer | store element names as "name" and "type" property | Oct 9 2015 | ||||
| 97e6e67ca9a5 | Axel Kohlmeyer | delete out-of-bounds label. | Oct 9 2015 | ||||
| affada17db87 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Oct 8 2015 | ||||
| 112d28fa4960 | Axel Kohlmeyer | need to NULL suffix2 if it is deleted and not re-set. | Oct 8 2015 | ||||
| 5a7a0fc14cde | Axel Kohlmeyer | fix one stray leftover of the rRESPA outer compute issues | Oct 8 2015 | ||||
| 97878b1a9f68 | athomps | Added deprecated warning message to pair_style reax | Oct 7 2015 | ||||
| dcb68f4c9786 | athomps | Added deprecated warning message to pair_style reax | Oct 7 2015 | ||||
| d220c6bde08d | Axel Kohlmeyer | make sure g_ewald_old is initialized in corner case. | Oct 7 2015 | ||||
| ce2945e50e20 | Axel Kohlmeyer | make sure energy is 0.0 in case Pair::ev_tally() is called for vflag but no… | Oct 7 2015 | ||||
| 40cb3e0bc890 | Axel Kohlmeyer | avoid using unitialized values in corner cases for Pair::compute_outer() | Oct 7 2015 | ||||
| 901c6009df52 | Axel Kohlmeyer | initialize force/energy to zero, if not computed. | Oct 7 2015 | ||||
| df5728be3993 | Axel Kohlmeyer | plug memory leak | Oct 7 2015 | ||||
| 05ce3543765f | Axel Kohlmeyer | plug memory leak | Oct 7 2015 | ||||
| 6854017f1cc1 | Axel Kohlmeyer | avoid appying uninitialized forces for short distances | Oct 6 2015 | ||||
| 263b2a12cf63 | Axel Kohlmeyer | make PairThole::single() consistent with PairThole::compute() | Oct 6 2015 | ||||
| 21dcbd5c7b57 | Axel Kohlmeyer | silence compiler warnings | Oct 6 2015 | ||||
| ca5d1e1ed607 | Axel Kohlmeyer | initialize vprev/vnext to meaningful values for the first/last replica | Oct 6 2015 | ||||
| 1e9688052db6 | Axel Kohlmeyer | respect scalar_pressure_flag consistently | Oct 6 2015 | ||||
| bfb019efa901 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Oct 6 2015 | ||||
| da1e4e4f258c | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | ||||
| 233eaea97d7c | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | ||||
| ae2a7e2ebdba | athomps | Made output prettier | Oct 5 2015 | ||||
| a1149efbfa3b | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | ||||
| 8a024fa64b01 | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | ||||
| db4d01260bda | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | ||||
| 46545bb3083b | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | ||||
| eda7896364bb | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | ||||
| f343a9f4a077 | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | ||||
| 1bb4a26214c3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14095 f3b2605a-c512-4ea7… | Oct 5 2015 | ||||
| bb48e4789521 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14094 f3b2605a-c512-4ea7… | Oct 5 2015 | ||||
| c7842922980b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14093 f3b2605a-c512-4ea7… | Oct 5 2015 | ||||
| 5fa97f537abd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14092 f3b2605a-c512-4ea7… | Oct 5 2015 | ||||
| fa6ad89b99ab | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14091 f3b2605a-c512-4ea7… | Oct 5 2015 | ||||
| bee7ed920a2c | sjplimp | '' | Oct 5 2015 | ||||
| 0e398e5e65e4 | sjplimp | '' | Oct 5 2015 | ||||
| 56ee1b670b3b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7… | Oct 5 2015 | ||||
| 6f038ab6d04d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14087 f3b2605a-c512-4ea7… | Oct 5 2015 | ||||
| 7efb97e033bd | Axel Kohlmeyer | avoid leaking a file pointer when out keyword is given multiple times | Oct 5 2015 | ||||
| 9ca1d815da9e | Axel Kohlmeyer | fix typo in coul/long/cs header | Oct 5 2015 | ||||
| d423c1c994ef | Axel Kohlmeyer | remove redundant test | Oct 3 2015 | ||||
| f21ad0786284 | Axel Kohlmeyer | plug (unlikely) memory leaks | Oct 3 2015 | ||||
| c7a55cb33b0a | Axel Kohlmeyer | Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… | Oct 3 2015 | ||||
| a8f2ac3f461d | sjplimp/Axel Kohlmeyer | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14086 f3b2605a-c512-4ea7… | Oct 3 2015 | ||||
| 3f3165af39fd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14086 f3b2605a-c512-4ea7… | Oct 2 2015 | ||||
| 00a9c05d2a66 | Axel Kohlmeyer | need to include stdlib.h when using free() | Oct 2 2015 | ||||
| 220a4c189559 | Axel Kohlmeyer | Merge branch 'merge-pull-14' into lammps-icms | Oct 2 2015 | ||||
| b15731f3f1e4 | Richard Berger | Init member correctly and use delete without redundant NULL check | Oct 2 2015 | ||||
| b2dd298751ad | Axel Kohlmeyer | make a copy of package related command line arguments, so they can be reset… | Oct 1 2015 | ||||
| aad9b19de0d1 | Axel Kohlmeyer | plug memory leak on thread data class | Oct 1 2015 | ||||
| 558a403c7b0b | Axel Kohlmeyer | update openmpi-single makefile to current settings | Oct 1 2015 | ||||
| e887da4b3f1c | Axel Kohlmeyer | add support for single precision FFTs to USER-PHONON | Oct 1 2015 | ||||
| 3c6c71473cbc | athomps/Axel Kohlmeyer | Fixed negligible error in Tersoff and COMB | Oct 1 2015 | ||||
| e5514189ba45 | athomps | Fixed negligible error in Tersoff and COMB | Oct 1 2015 | ||||
| 14afbbb1f0d6 | Axel Kohlmeyer | remove left over local const variable. | Sep 30 2015 | ||||
| 7a4db7c2244a | Axel Kohlmeyer | correct potential NULL pointer dereference bug | Sep 30 2015 | ||||
| f146e718c5bb | Axel Kohlmeyer | correct explicit NULL pointer dereference bug | Sep 30 2015 | ||||
| 1583b88406b9 | Axel Kohlmeyer | plug memory leak and incorrect handling of pRNGs for changing number of threads… | Sep 30 2015 | ||||
| 051f61a774ed | Axel Kohlmeyer | plug memory leak | Sep 30 2015 | ||||
| 651923956374 | Axel Kohlmeyer | remove unlikely potential memory leak and more LAMMPS conforming error handling | Sep 30 2015 | ||||
| 42d8541415bf | Axel Kohlmeyer | Merge branch 'double_free_fixes' into lammps-icms | Sep 30 2015 | ||||
| 38cca1c50ba0 | Axel Kohlmeyer | remove dead code | Sep 30 2015 | ||||
| 704bddc03a51 | Axel Kohlmeyer | remove pointless check for 64-bit integer overflow | Sep 30 2015 | ||||
| b5bd739b9e56 | Richard Berger | Fix another memory corruption due to double free | Sep 30 2015 | ||||
| e8bdede0362c | Axel Kohlmeyer | Merge branch 'double_free_fixes' into lammps-icms | Sep 29 2015 | ||||
| 4ea8fe1250cf | Richard Berger | Merge branch 'lammps-icms' into bugfixes/double_frees | Sep 29 2015 | ||||
| 03d7c8e00342 | Richard Berger | Fix memory corruptions due to double frees | Sep 29 2015 | ||||
| 6e53fc9e7dcd | Axel Kohlmeyer | add tests for dihedral style table culled from LAMMPS mail archive | Sep 29 2015 | ||||
| 863252c22544 | Axel Kohlmeyer | plug memory leak | Sep 29 2015 | ||||
| b09f5abaaa4c | Axel Kohlmeyer | fix memory leak and off-by-one error | Sep 29 2015 | ||||
| 6884d7dd2d02 | Axel Kohlmeyer | fix typo | Sep 29 2015 | ||||
| 1ee0f5e15d08 | Axel Kohlmeyer | remove dead code | Sep 29 2015 | ||||
| e40595b2bc7b | Axel Kohlmeyer | synchronize multi-full neighborlist for OpenMP with serial code. | Sep 29 2015 | ||||
| 70d3f68ab7e9 | Axel Kohlmeyer | fix typo detected by coverity scan | Sep 29 2015 | ||||
| 568a47c83968 | Axel Kohlmeyer | remove pointless checks for bigint overflows. | Sep 29 2015 | ||||
| 30a0f3cf5c7c | Axel Kohlmeyer | remove ambiguity on else branch which implied npath == 4 | Sep 29 2015 | ||||
| 277406923690 | Axel Kohlmeyer | avoid division by zero | Sep 29 2015 | ||||
| 65d837506d61 | Axel Kohlmeyer | fix typo | Sep 29 2015 | ||||
| 38158c71d65c | Axel Kohlmeyer | check for positive return value before calling ftruncate() | Sep 29 2015 | ||||
| 9b32d06743f3 | Axel Kohlmeyer | fix bug spotted by coverity | Sep 29 2015 | ||||
| 3e53da15da85 | Axel Kohlmeyer | fix uninitialized type error in AIREBO | Sep 28 2015 | ||||
| 6efdea9f9737 | Axel Kohlmeyer | correct off-by-one error | Sep 28 2015 | ||||
| 88b7691cde1e | Axel Kohlmeyer | make implicit destructors explicit and virtual | Sep 28 2015 | ||||
| b9592245ea97 | Axel Kohlmeyer | allow variable size host string | Sep 28 2015 | ||||
| 1000caeceae3 | Axel Kohlmeyer | incorporate contributed code from jorge ramirez | Sep 28 2015 | ||||
| e0be6ac109c8 | Axel Kohlmeyer | Merge branch 'compute-rdf-update' into lammps-icms | Sep 28 2015 | ||||
| d6d5a22871fe | Axel Kohlmeyer | avoid integer overflow in g(r) normalization | Sep 28 2015 | ||||
| ef13e06a93c1 | Axel Kohlmeyer | minimizer test cases | Sep 28 2015 | ||||
| 858eed24383c | sjplimp | '' | Sep 28 2015 | ||||
| 89ea1e4ae6d8 | sjplimp | '' | Sep 28 2015 | ||||
| a6d7932ef46a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14082 f3b2605a-c512-4ea7… | Sep 28 2015 | ||||
| 4d4d56175a68 | sjplimp | '' | Sep 28 2015 | ||||
| 615657899c78 | sjplimp | '' | Sep 28 2015 | ||||
| 41fb6035debf | Axel Kohlmeyer | correct typo | Sep 27 2015 | ||||
| 11d704091e68 | Axel Kohlmeyer | avoid unintended integer division | Sep 27 2015 |
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