8e07aaf005
update log files for ellipse and flow examples
2018-11-28 16:16:19 -05:00
4a8f1a7a08
update log files for eim example
2018-11-28 16:11:15 -05:00
37289f7476
update log files for dipole and dreiding example inputs. add running some MD steps for dreiding
2018-11-28 16:07:12 -05:00
3ce61c42d6
update log files for crack and deposit examples
2018-11-28 16:01:42 -05:00
98c8f22046
update log files for coreshell examples
2018-11-28 15:56:58 -05:00
296cab0b09
update log files for controller example
2018-11-28 15:40:14 -05:00
ab924e4f1d
update log files for comb examples
2018-11-28 15:38:11 -05:00
852916983a
update logs for colloid example
2018-11-28 14:53:29 -05:00
d0a83e9e12
update cmap example logfiles
2018-11-28 14:51:19 -05:00
2ed90c1669
update log files for body examples
2018-11-28 14:46:47 -05:00
c428088554
update logfiles for balance examples
2018-11-28 14:40:20 -05:00
77e7362168
update log files for airebo and atm examples
2018-11-28 14:28:20 -05:00
2d0d08093b
Another attempt to add Lebedeva potential
2018-11-28 09:33:44 +01:00
a91d89b516
avoid array overflows and silence compiler warnings from unused parameters
2018-11-21 09:24:10 -05:00
dcffeb546f
update AIREBO/REBO examples and provide references for rebo and airebo with LJ and TORSION turned off
2018-11-20 13:56:46 -05:00
9f960baa4f
restore USER-ATM package data files taken from CVS repo
2018-11-20 09:17:02 -05:00
a7bfb30043
update atc/cauchy_born examples with missing files
2018-11-16 23:03:47 -05:00
d0235dd018
remove cauchystat changes from fix_nh.cpp/.h/.txt (again). delete misplaced example that came back from the dead, too.
2018-11-14 17:22:31 -05:00
a4835fa7a6
Merge branch 'master' of https://github.com/ProfessorMiller/lammps
2018-11-14 09:42:32 -05:00
d66a1ac054
Commit JT 111318
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- corrections pair/spin/dipolar/long
2018-11-13 17:03:32 -07:00
d1ff90eacf
copy and rename fix_nh.cpp/.h to USER-CAUCHY/fix_cauchy.cpp/.h related changes
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this moves the code into the corresponding folders, renames the classes, adds copies of the doc files, moves the examples, integrates the USER-CAUCHY package into the build system.
2018-11-13 17:18:37 -05:00
5062c43aea
rename example outputs
2018-11-12 12:32:53 -07:00
3b7ebbb8df
new hyper examples
2018-11-12 12:32:53 -07:00
d7a479d2f6
hyper example dir
2018-11-12 12:32:52 -07:00
9727fdc473
Commit JT 110818
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- correct bug (match ewald/disp results for vir)
- started correct mag. part
2018-11-08 16:17:43 -07:00
e0955f6434
Merge branch 'master' into sdpd to resolve merge conflicts
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# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
2018-11-08 16:32:02 -05:00
a6e9b99295
Merge pull request #1180 from gtribello/master
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Add natively supported PLUMED interface to LAMMPS
2018-11-08 16:16:50 -05:00
a37d718ed1
update bond/react examples
2018-11-03 12:01:00 -06:00
badfdd7433
download only the plumed-src package and include further tweaks to be compatible with plumed 2.5b
2018-11-03 00:21:10 -04:00
ac11d66d5a
provide reference logfiles and move generated files to reference folder
2018-11-02 23:28:09 -04:00
1b98c0e40d
Merge remote-tracking branch 'lammps/master' into kim-v2-update
2018-10-30 18:40:55 -05:00
ba6f6f73f1
first commit: added SDPD
2018-10-30 17:40:00 +03:30
ff9f836be4
Merge remote-tracking branch 'upstream/master'
2018-10-26 22:01:05 +01:00
cf91a93876
update example to check if the store fix is removed properly
2018-10-23 10:41:51 -04:00
baea04b913
update cauchystat example to conform more with standard LAMMPS examples
2018-10-23 10:41:51 -04:00
c094831617
tweak example input and readme
2018-10-23 10:41:51 -04:00
5c686be33d
clean up whitespace, indentation, isolate all cauchystat-related code, remove extraneous examples
2018-10-23 10:41:50 -04:00
43f83abe5e
Changes to the NH fix enabling Cauchy stress control (Cauhchystat) due to Miller, Tadmor, Gibson, Bernstein and Pavia, J Chem Phys,
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144, 184107 (2016).
2018-10-23 10:41:50 -04:00
1d38f2d725
Merge pull request #1165 from akohlmey/refactor-kspace-base-class
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Refactor kspace base class to have a settings() method
2018-10-23 10:35:12 -04:00
76a2a9ab0a
Fixed normalization error for ordinate degree
2018-10-20 17:16:47 -06:00
8223f5e0a3
Eliminated another initialization error and tweaked rdf-adf example
2018-10-20 16:46:45 -06:00
2140caa6f5
add an example for RDF and ADF computation with water molecules
2018-10-20 08:12:02 -04:00
da84138475
correct scafacos input example
2018-10-19 15:31:53 -04:00
a745a0aed0
Commit JT 100318
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- correction forces ewald_dipole
- correction mag. dipolar energy
2018-10-03 10:23:58 -06:00
f61f43a56b
Merge branch 'master' into kim-v2-update
2018-10-01 21:17:26 -05:00
19aaf294e5
Commit JT 092718
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- renamed pair/spin/long functions
- started to work on debugging ewald_dipole (force errors)
2018-09-27 10:46:52 -06:00
5a6226caa5
jive src headers with doc page entries and example scripts
2018-09-25 10:50:43 -06:00
6b4303c405
Commit2 JT 092418
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- initialized g_ewald before Newton solver
- mu2 is now adim in ewald_dipole_spin
2018-09-24 16:40:59 -06:00
53a779067e
Commit JT 092418
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- ewald_dipole_spin added
- accuracy problem (with eval of gewald and Newton solver)
2018-09-24 10:59:17 -06:00
4b988b8cdf
clean up whitespace, indentation, isolate all cauchystat-related code, remove extraneous examples
2018-09-24 11:30:06 -04:00
