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f864a52720
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Merge branch 'master' into random_deposit
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2019-10-04 14:55:29 +02:00 |
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f74c5fc956
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add RanPark pRNG warmup also to fix evaporate and create_atoms
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2019-08-22 09:38:55 -04:00 |
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3eadfa15ef
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Merge pull request #1512 from mkanski/rotate_molecules
Extend support of "rotate" keyword to all styles of "create_atoms"
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2019-07-30 10:53:37 -04:00 |
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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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3611cfdaf8
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All styles support setting molecules' orientation
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2019-06-14 19:58:31 +02:00 |
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9912c44413
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rendevous comm option for special bonds and fix rigid/small
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2019-03-26 11:01:33 -04:00 |
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de29763d1a
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new attempt at the create_atoms optimization for small regions in large boxes
this passes the test input with the rotated lattice
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2019-02-25 17:11:54 -05:00 |
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1b4ed9cb8d
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revert region optimization to create_atoms
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2019-02-08 16:24:48 +01:00 |
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2e60e461a0
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must convert regions bounding box to lattice coordinates before checking to reduce lattice creation range
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2019-01-31 18:12:37 -05:00 |
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8338969af5
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bugfix for create_atoms region optimization
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2019-01-31 11:46:03 +01:00 |
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e572235ecf
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optimize create_atoms performance for large boxes and small regions. warn if taking a long time
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2019-01-08 14:33:07 -05:00 |
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4ec05a3389
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remove some more trailing whitespace
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2018-12-01 08:14:02 -05:00 |
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dcde84eb53
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bug fix for create_atoms single remap and triclinic
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2018-10-18 11:22:51 -06:00 |
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71e1867dd2
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move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
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2018-05-10 00:50:20 -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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58e1969de2
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rename misleading "CPU time" into "Time spent"
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2017-10-06 14:34:10 -04:00 |
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214c0cfb2b
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add atom_modify map yes, also timers to create_atoms and replicate
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2017-10-05 16:44:24 -06:00 |
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3a054d1a82
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Fix more typos in src files
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2017-03-07 00:55:01 -05:00 |
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d9891abdf4
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new library functions
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2016-10-27 09:34:04 -06:00 |
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0bffc1711e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15435 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-04 16:39:15 +00:00 |
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984a1afa72
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2016-01-15 15:53:23 +00:00 |
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e72cef0c3a
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2016-01-11 22:00:29 +00:00 |
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354e20f431
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2015-10-30 20:04:06 +00:00 |
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2015-02-06 16:32:49 +00:00 |
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2015-01-28 15:55:56 +00:00 |
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2014-10-30 17:43:04 +00:00 |
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