22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
fd9da6f934
make use of utils::sfgets() in a few more places
2019-10-19 13:26:55 -04:00
73892711a5
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
9c27548a5c
more replacing of sprintf() with snprintf()
2018-09-06 10:45:48 -04:00
71bc72ec13
formatting: add additional space to avoid bad syntax highlights
2018-08-27 22:13:43 -04:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
27d6284ebe
Merge branch 'USER-DPD_bugfix' into USER-DPD_kokkos, pair_multi_lucy_rx
2017-03-03 09:52:42 -05:00
763a00e8b0
USER-DPD: pair_multi_lucy_rx bugfix for systems with multiple atom types
2017-03-03 09:29:17 -05:00
3ae77e718a
Merge branch 'USER-DPD_bugfix' into USER-DPD_kokkos
2017-03-01 09:45:50 -05:00
1dc78a7e58
USER-DPD: correct off-by-one errors in PairMultiLucyRX::coeff()
2017-02-28 17:45:21 -05:00
cc1b55e031
Merging USER-DPD updates
2016-12-23 12:36:05 -07:00
3faa57a413
USER-DPD: Several updates to *_rx files:
...
1) Added MY_EPSILON to handle machine precision checks
2) Removed error checks for DPD-RX; enabled use with DPD-E simulations
3) Expanded the EOS functional form to allow corrections
in the thermo file or on the command line
4) Updated naming convention from fraction to mixWtSite*
5) Changed the name of getParams() method to getMixingWeights()
6) getMixingWeights() now handles fractional and molecular weighting
7) Added optional argument (fractional or molecular) to pair_style command
8) Added argument to specify the exp6 parameter scaling method
NOTE: Requires additional arguments in the pair coefficients,
thus command line areguments are NOT backward-compatible.
2016-12-22 17:15:09 -05:00
c0d6cbbdd3
Updates to Kokkos files
2016-12-15 11:18:50 -07:00
f93c62d3e2
Reverting accidental change
2016-12-13 16:54:00 -07:00
1dbf6d443f
Adding Kokkos files
2016-12-13 16:43:40 -07:00
616420cda8
Initializing pointers in USER-DIFFRACTION and USER-DPD
2016-11-07 20:51:36 +01:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
adc98e07df
whitespace cleanup in USER-DPD
2016-10-11 23:58:36 -04:00
f9f955d5b5
update include statement format
2016-10-05 22:34:44 -04:00
cff65b956a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15355 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-22 22:52:03 +00:00
ab2fe0113e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15223 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-28 13:20:05 +00:00
d55f968432
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 23:48:15 +00:00
9fbe666677
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15119 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 15:20:33 +00:00
