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b8b07061d4
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Added function for creating an improper using single/improper
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2019-10-08 10:46:27 +01:00 |
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7967cb1133
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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557a1274e4
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even more include file cleanup
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2019-06-28 07:09:57 -04:00 |
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1fc3b4618c
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remove dead code and silence compiler warnings
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2018-11-15 16:50:56 -05:00 |
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366aaf2450
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port bugfix for single/bond to single/angle and single/dihedral
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2018-05-04 00:32:13 -04:00 |
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23f71ee4ad
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fix bug in create_bonds, where ghost atoms were counted incorrectly
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2018-05-03 22:34:11 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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99d5957a01
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make default argument of virtual function Neighbor::build() explicit
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2018-02-22 08:42:36 -05:00 |
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54a3096278
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do not allow single bond/angle/dihedral definitions with illegal atom ID combinations
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2018-01-31 05:59:19 -05:00 |
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8d37c89cb6
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different bug fix for create_bonds, delete_atoms neigh list issue
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2018-01-16 11:32:37 -07:00 |
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6070182f06
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correctly account for individually added bonds, angles, and dihedrals
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2018-01-06 11:03:48 -05:00 |
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2896df2140
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avoid that occasional neighbor lists requested from commands linger around for too long and thus cause segementation faults
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2018-01-04 17:16:31 -05:00 |
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711afe5062
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add single options to create_bonds command
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2017-06-30 11:30:43 -06:00 |
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0f71c66b6f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-07-22 21:19:08 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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00834f6d84
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13127 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-19 18:23:31 +00:00 |
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31731fd1ce
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12977 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-20 23:17:36 +00:00 |
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106b16942e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12970 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-20 22:26:55 +00:00 |
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db1b219716
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12964 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-20 18:55:10 +00:00 |
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