ebcc68f2cf
Renamed InP files and tweaked
2020-06-12 17:58:33 -06:00
574f6307e7
Merge master into chem_snap and update dulist merge conflict
2020-06-12 13:31:43 -07:00
d95859c73b
update hyperdynamics example log files
2020-06-11 16:52:30 -04:00
62045cfb10
Merge branch 'master' into chem_snap
2020-06-09 14:30:55 -07:00
ecc142229d
update outputs again
2020-06-09 15:09:45 -04:00
999ed36e6a
update log files for new version
2020-06-09 15:04:53 -04:00
7088746e36
update logs
2020-06-06 11:59:38 -04:00
d343d2beb1
whitespace and output fixes.
2020-06-06 11:10:32 -04:00
8bfabcab56
update fix orient/eco example to be aligned with LAMMPS conventions
2020-06-06 10:36:35 -04:00
cbd4f59d45
updates "add eco df"
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We think we followed all your requests/advice/suggestions (thanks!). We were unable to compile the current master (!) on Ubuntu and MacOS unless we added -std=c++11 to the Makefile(s) compiler flags. Note that this is NOT related to this pull request / the ECO Force. With this compiler flag, the current master works well with the fix_orient_eco (now renamed). The fix has been moved to USER-MISC (but we hope to get it to MISC later). We can't "make style_check ", but we have added our command to commands_fix.rst. We don't know GitHub well enough, so we don't know how to make sure that the PR #2122 was already included in the master, which we downloaded today.
2020-06-05 14:57:59 +02:00
53e3421b6f
Merge branch 'master' into chem_snap
2020-06-01 17:22:05 -07:00
98b0619c3c
ECO Driving force
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adds an energy to each atom depending on the surrounding crystal orientation, in order to drive grain boundaries
2020-05-28 13:51:56 +02:00
8ed5829d32
Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom
2020-05-06 16:25:22 -06:00
25632992f4
updates to USER-SPH example scripts
2020-05-06 16:25:07 -06:00
8301c7a9c6
Merge branch 'master' of ssh://github.com/lammps/lammps into atomvec-custom
2020-05-06 15:53:21 -06:00
1225f7d1e0
small changes to examples scripts for regression purposes
2020-05-06 15:28:27 -06:00
26321d49c4
Update How-to viscosity and put the example together with other viscosity examples.
2020-04-30 17:05:01 +02:00
681878aa24
Merge branch 'master' into viscosity
2020-04-28 17:11:04 -04:00
3bebf017c0
Rename log.22Apr20.tiny_nylon.unstabilized.g++.4 to log.22Apr20.tiny_nylon.stabilized_variable_probability.g++.4
2020-04-25 15:05:32 +02:00
a6c3f2c0e3
Rename log.22Apr20.tiny_nylon.unstabilized.g++.1 to log.22Apr20.tiny_nylon.stabilized_variable_probability.g++.1
2020-04-25 15:04:46 +02:00
643ef2e2bc
return of the data file
2020-04-24 22:59:20 -06:00
9266c74370
move fix_accelerate_cos and compute_viscosity_cos to USER-MISC
2020-04-24 15:30:20 +02:00
0bb41bf00b
Add ouput for the example for USER-VISCOSITY package
2020-04-24 14:41:03 +02:00
a30d4a6c6f
Add documents and minor fix for USER-VISCOSITY package
2020-04-24 14:41:03 +02:00
c7e4304ab6
add package and examples for viscosity calculation
2020-04-24 14:28:46 +02:00
7a366de0a9
Delete log.22Apr20.tiny_nylon.unstabilized.g++
2020-04-24 09:39:11 +02:00
5a9cc9e380
updated log files
2020-04-24 09:35:32 +02:00
1751a27ff6
removing example script from nylon melt and adding to tiny nylon
2020-04-22 14:07:11 +02:00
0288bb4b6b
small modification to fix bond/react to allow equal style variables as probability o
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On branch master
Your branch is up to date with 'origin/master'.
Changes to be committed:
modified: doc/src/fix_bond_react.rst
new file: examples/USER/reaction/nylon,6-6_melt/in.large_nylon_melt_variable_probability
modified: src/USER-REACTION/fix_bond_react.cpp
modified: src/USER-REACTION/fix_bond_react.h
2020-04-22 13:27:10 +02:00
5eee4cb1ba
C4 JT 041420
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- reran all SPIN examples
2020-04-14 15:44:15 -06:00
41cfb3ae80
Merge branch 'master' into neel-rework
2020-04-14 05:57:08 -04:00
9a2348ff15
InP example included
2020-04-09 01:18:34 -07:00
bb9ffe2edc
simple.c: fix lammps include
2020-04-06 14:15:47 -06:00
ef0df90b48
Merge branch 'master' into cmake_clean_up
2020-03-31 14:42:28 -06:00
22aab4406e
Commit3 033020
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- re-checked all validation problems, ready for PR
2020-03-30 09:32:46 -06:00
961c554ed6
Merge branch 'clean-master2' of github.com:julient31/lammps into neel-rework
2020-03-30 09:01:30 -06:00
547d29d030
Commit2 JT 300320
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- regenerated all spin examples
2020-03-30 08:55:54 -06:00
51e3f9dcda
Commit JT 033020
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- modified all spin pairs (match nve)
- correct doc min_modify
- correct code max norm (square values)
- added draft nvt validation
2020-03-30 08:09:11 -06:00
f30116311f
cmake: add simpleC to CMakeLists.txt
2020-03-28 17:57:53 -06:00
4aadb554a3
cmake: replace incl. dir hack by even better hack
2020-03-28 08:43:13 -06:00
b245872bae
cmake: replace include dir hack by a different hack
2020-03-28 08:28:41 -06:00
5a88db838d
Merge pull request #1946 from yafshar/kim-property
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Add new kim_property command
2020-03-27 20:58:52 -04:00
24ed8749d2
a kim-property command example
2020-03-27 17:17:04 -05:00
16ac65e8cf
cmake: make mpi public again
2020-03-27 15:01:51 -06:00
6f8915e0a5
cmake: updated COUPLE/simple cmake
2020-03-27 13:55:34 -06:00
e601fa4e8d
cmake: add example CMakeLists.txt for xamples/COUPLE/simple
2020-03-26 08:42:00 -06:00
8b0e5c66ea
tweak the docs for the new fix numdiff command
2020-03-20 07:23:01 -06:00
17dd794514
Merge pull request #1891 from charlessievers/fix_numerical_differentiation
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New fix to compute properties by numerical differences
2020-03-18 23:31:18 -04:00
164bf1b60e
Merge pull request #1883 from evoyiatzis/master
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Coulomb pair style with smeared out charges (coul/slater)
2020-03-18 20:52:47 -04:00
ca1e1e2dff
Convert British spelling to American
2020-03-18 23:09:23 +09:00
