|
|
8f71979ba1
|
update formatting in src folder with clang-format
|
2021-08-23 20:46:09 -04:00 |
|
|
|
0f0059269d
|
Modified data_bonds_post() and calling structure
|
2021-07-15 13:36:40 +01:00 |
|
|
|
65e2d8fd5e
|
Added data_bonds_post2() method for testing purposes
|
2021-07-05 17:29:11 +01:00 |
|
|
|
4b81802ae8
|
Created new feature branch for PR as per request
|
2021-07-05 16:07:40 +01:00 |
|
|
|
09c19a936b
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
|
|
7fcd449864
|
apply clang-format to all headers with some exceptions
|
2021-05-14 19:16:07 -04:00 |
|
|
|
4738337e47
|
update/trim list of include files according to the IWYU principle
|
2021-04-24 13:22:39 -04:00 |
|
|
|
df7fe4431f
|
make LAMMPS homepage URL and C++ indicator comments consistent
|
2021-04-22 21:26:07 -04:00 |
|
|
|
b15a813a59
|
Avoid manual new / delete[] in AtomVec::Method
|
2021-04-15 18:46:59 -04:00 |
|
|
|
7300e5c4bd
|
Use C++ for AtomVec::Method
|
2021-04-15 18:33:21 -04:00 |
|
|
|
618b08dcfc
|
Merge branch 'master' into symbolic-atom-constants
|
2020-09-15 14:58:13 -04:00 |
|
|
|
0183e999c9
|
consistently return "memory_usage" as double.
|
2020-09-15 01:59:58 -04:00 |
|
|
|
9d0c3bc665
|
replace some numeric constants in Atom and AtomVec classes with enumerators
|
2020-09-11 19:07:55 -04:00 |
|
|
|
955bff7c4e
|
add body support, change bonus buf to 1d so can be variable length
|
2020-07-07 11:34:30 -06:00 |
|
|
|
7918919d30
|
enable write_data for atom styles with bonus data
|
2020-07-06 17:30:45 -06:00 |
|
|
|
516a31796e
|
need to move destruction of base per-atom properties back to atom.cpp so we don't leak memory in read_restart and don't crash with replicate
|
2020-06-22 23:12:11 -04:00 |
|
|
|
198258766d
|
ensure that per-arrays are only freed if the last atom style instance is deleted
|
2020-06-22 18:59:09 -04:00 |
|
|
|
6274234376
|
have a single union ubuf definition in lmptype.h and remove others
|
2020-06-11 18:37:31 -04:00 |
|
|
|
807130c771
|
Replace AtomVec::tokenize and use Tokenizer
|
2020-05-20 15:50:10 -04:00 |
|
|
|
822c7c5ca1
|
elimitate nthreads member, change threads from int to bool and determine number of threads dynamically
this fixes #2081
|
2020-05-11 10:57:27 -04:00 |
|
|
|
7d9091cacc
|
Add back in old hybrid functions, needed by Kokkos package
|
2020-05-06 15:49:44 -06:00 |
|
|
|
6659946de1
|
fix more warnins and 64-bit issues
|
2020-05-01 08:50:07 -04:00 |
|
|
|
adc04f87f6
|
whitespace fixes
|
2020-05-01 08:24:24 -04:00 |
|
|
|
907ffae7b4
|
add return 0 to atom_vec
|
2020-04-30 21:32:59 -06:00 |
|
|
|
dda5cb0967
|
typo in atom_vec.h
|
2020-04-30 12:02:49 -06:00 |
|
|
|
ecd3652f61
|
update to current master
|
2020-04-30 11:57:17 -06:00 |
|
|
|
34778c4919
|
Restore virtual keyword for Kokkos package
|
2020-01-29 14:10:42 -07:00 |
|
|
|
90ff2eb6c9
|
modified versions of creating atoms on subset of lattice, ditto for set type/fraction
|
2020-01-21 13:31:47 -07:00 |
|
|
|
b6374bacfb
|
enable replicate to work with local ptrs
|
2019-12-18 08:56:03 -07:00 |
|
|
|
db6d272303
|
more additions to USER atom styles and bug fixes
|
2019-12-13 13:54:12 -07:00 |
|
|
|
ccca80a6a5
|
changes to enable atom_style hybrid to work
|
2019-12-02 15:39:54 -07:00 |
|
|
|
4f6cb13592
|
added atom styles with bonus data, also a few USER packages
|
2019-11-27 16:03:50 -07:00 |
|
|
|
6c18e366d7
|
changes to start to make atom style hybrid work
|
2019-11-26 18:34:51 -07:00 |
|
|
|
3736af0aaf
|
initial refactoring on AtomVec class
|
2019-11-26 13:42:32 -07:00 |
|
|
|
11a3fd6ce4
|
Merge pull request #1556 from lammps/bug-maxexchange
more robust version of atom exchange size
|
2019-07-30 17:09:18 -04:00 |
|
|
|
2fd327d057
|
more robust version of atom exchange size
|
2019-07-09 16:17:54 -06:00 |
|
|
|
48220b39b5
|
include <cstdio> explicitly in .cpp files, though
|
2019-06-27 11:48:34 -04:00 |
|
|
|
e4071d7f46
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
|
|
d2da49cdf9
|
modifications to correctly print modified dihedrals, impropers
|
2018-01-22 23:56:11 -07:00 |
|
|
|
c46be7db62
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
|
|
04e401ae4b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-05-31 16:20:32 +00:00 |
|
|
|
354e20f431
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
|
|
84a5ec39ec
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-23 23:30:50 +00:00 |
|
|
|
4c2103f695
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-18 21:54:52 +00:00 |
|
|
|
7518fae9bc
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
|
|
47b6b3bb41
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12073 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-06-04 22:12:23 +00:00 |
|
|
|
1f667449d1
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12069 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-06-04 20:52:04 +00:00 |
|
|
|
59971d1616
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11938 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-05-07 16:25:27 +00:00 |
|
|
|
4c9bba90f1
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-05-07 16:15:31 +00:00 |
|
|
|
148140df27
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11529 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-02-12 00:33:16 +00:00 |
|
