Commit Graph

50 Commits

Author SHA1 Message Date
adf74b3a22 use https://lammps.sandia.gov based URLs consistently 2020-10-21 16:45:30 -04:00
9d0c3bc665 replace some numeric constants in Atom and AtomVec classes with enumerators 2020-09-11 19:07:55 -04:00
6113169a47 IWYU based include statement cleanup 2020-09-02 17:39:34 -04:00
f1a9eab5da initialze omega and angmom when read data file 2020-05-15 13:07:34 -06:00
adc04f87f6 whitespace fixes 2020-05-01 08:24:24 -04:00
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
9e52980aaa all of remaining USER package styles except AWPMD 2019-12-03 11:15:16 -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
2ca2d053fd Merge branch 'master' into improve-include-consistency 2019-07-10 14:18:42 -04:00
054ff97a51 replace ATOTAGINT() calls with utils::tnumeric() in AtomVec classes 2019-07-10 00:27:31 -04:00
93748a18ae further clean up of AtomVec classes after merging PR #1552 to master 2019-07-10 00:22:03 -04:00
06dcc9e283 Merge branch 'master' into improve-include-consistency
# Conflicts:
#	src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
cfaa537296 use alternate implementation of numeric conversion functions
these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
2019-07-08 17:51:37 -04:00
15e1b39531 validate more numbers read from data files through using force->numeric()/force->inumeric() instead of atof()/atoi() 2019-07-07 15:52:21 -04:00
7967cb1133 put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI 2019-07-03 06:16:16 -04:00
03099d6e54 some more include file consistency changes 2019-06-27 17:11:53 -04:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
5cd856c97f fix spring doc page update 2017-01-17 09:02:56 -07:00
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
047be536bc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-02 20:39:55 +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
bad19033d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-17 18:43:09 +00:00
a1ef01fc1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-14 16:17:20 +00:00
5ec8a7c930 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11026 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-20 15:36:26 +00:00
856f78e50a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10349 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-25 17:47:47 +00:00
8d699db7a8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10113 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 21:41:33 +00:00
60b9a09f77 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9901 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-23 22:45:11 +00:00
07071dccd9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9837 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-08 15:59:33 +00:00
da77d5e62a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9737 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-03 16:52:29 +00:00
ce7dede594 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9399 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-08 16:44:04 +00:00
0c6b84987c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9346 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-31 16:31:03 +00:00
912cfaca75 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:15:41 +00:00
dfb51e6b00 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8398 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-25 23:31:14 +00:00
66c5617afb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-25 22:03:31 +00:00
ef9e700545 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 22:47:51 +00:00
3450c008aa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:29:18 +00:00
52568d2738 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7849 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:19:20 +00:00
f90ce18f3d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 00:11:49 +00:00
15203cb792 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7039 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 17:55:48 +00:00
19e8c92a90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 18:06:55 +00:00
029a4d2df2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6780 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-24 14:11:14 +00:00
775f182d1f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6709 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-17 21:25:29 +00:00
dffb8b2a89 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6190 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-20 20:19:11 +00:00
8ff0659bae git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5947 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-15 22:25:19 +00:00
759ee1f3e8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5940 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-14 17:40:40 +00:00
819524ebd6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5932 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-13 21:40:14 +00:00