lammps

addtorque

move some styles around

2021-07-09 16:54:00 -04:00

adios

rename example folders

2021-06-29 11:23:47 -04:00

agni

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

alchemy

make ramp more flexible by defining lambda through a variable

2023-02-27 16:01:17 -05:00

atc

fixed issues with several input scripts, added reference log files

2025-03-11 16:10:04 -05:00

awpmd

rename example folders

2021-06-29 11:23:47 -04:00

basal

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

bocs

rename example folders

2021-06-29 11:23:47 -04:00

brownian

rename example folders

2021-06-29 11:23:47 -04:00

cauchy

fix broken symbolic links

2021-07-28 21:32:52 -04:00

cgdna

rename CG-DNA potential files

2024-06-20 14:33:26 -04:00

cgspica

fixes

2024-07-07 02:59:43 -04:00

charge_regulation

use dynamic/dof and extra/dof consistently. remove compatibility note in docs.

2023-06-30 16:27:07 -04:00

cnp

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

colvars

recreate example logs with new colvars version

2024-08-05 22:12:30 -04:00

dielectric

rerun updated examples and record log files

2023-03-07 14:36:56 -05:00

diffraction

rename example folders

2021-06-29 11:23:47 -04:00

dispersion

small cosmetic changes, simplify d2/d3 examples, and create consistent logs

2024-12-20 18:49:55 -05:00

dpd-basic

correct data in data file and pair_coeff changes are no longer needed

2025-03-25 03:01:38 -04:00

dpd-meso

Updated doc pages for the added pair styles, added a cmake preset for gpu-cuda, added "comm_modify vel yes" to in.mdpd

2023-12-05 15:32:57 -06:00

dpd-react

rename some examples folders

2021-06-29 20:25:18 -04:00

dpd-smooth

use compliant box creation for 2d

2024-08-12 21:25:42 -04:00

drude

rename example folders

2021-06-29 11:23:47 -04:00

e3b

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

edip

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

ees

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

eff

added the reference log files for example inputs under PACKAGES/eff

2025-02-01 14:55:38 -06:00

electrode

Bugfix virial with fix electrode

2024-07-01 10:05:28 +02:00

electron_stopping

add missing potentials via symlinks

2024-08-12 21:55:13 -04:00

entropy

renormalize line endings. add .gitattributes to configure them explicitly

2022-03-17 18:21:31 -04:00

extep

more tweaks for extep potential file

2022-03-22 22:21:23 -04:00

fep

add symbolic links for data file for FEP examples

2022-11-15 17:07:02 -05:00

filter_corotate

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

flow_gauss

recenter 2d boxes around 0.0

2023-12-06 08:31:41 -05:00

gauss_diel

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

gle

add some metadata for fix gle matrix files

2022-01-18 19:55:30 -05:00

grem

move some styles around

2021-07-09 16:54:00 -04:00

hdnnp

add reference log outputs for ML-HDNNP and add input demoing use with hybrid

2023-08-23 08:58:20 -04:00

hma

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

imd

example IMDv3 usage

2025-01-09 21:55:44 -07:00

interlayer

symlink potentials

2024-08-12 22:02:57 -04:00

ipi

Updated i-pi example

2024-06-04 23:48:17 +02:00

latboltz

update log file

2024-08-16 17:36:19 -04:00

local_density

update local/density examples to follow conventions more closely

2021-12-10 08:50:58 -05:00

machdyn

renormalize line endings. add .gitattributes to configure them explicitly

2022-03-17 18:21:31 -04:00

manifold

rename example folders

2021-06-29 11:23:47 -04:00

manybody_table

merge with third manybody table example and provide updated log files

2022-06-01 15:04:07 -04:00

meam_spline

update examples and log files for pair style meam/spline

2022-12-18 11:32:37 -05:00

meam_sw_spline

correct for changed reference results due to fixing the potential file issue

2022-12-18 11:22:11 -05:00

mesont

remove Fortran library based MESONT styles and the library itself

2023-01-20 19:12:42 -05:00

mgpt

update log files for MGPT package

2024-02-07 03:57:12 -05:00

mofff

rename example folders

2021-06-29 11:23:47 -04:00

momb

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

moments

Add examples and expected output for ave/moments

2025-05-02 01:20:37 +02:00

momentum

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

mop

renormalize line endings. add .gitattributes to configure them explicitly

2022-03-17 18:21:31 -04:00

orient_eco

fix broken symbolic links

2021-07-28 21:32:52 -04:00

pace

update pace plugin loader to include the two additional styles added

2024-09-03 22:30:32 -04:00

pafi

fixed incorrect path to the potential file

2025-03-11 16:41:41 -05:00

pedone

add example for Ca-O with Pedone

2024-04-09 22:08:30 -04:00

phonon

merge with GHub version

2023-12-13 09:05:27 -07:00

pimd

update h2 fix pimd/langevin example

2023-11-16 12:00:29 -05:00

pimd_bosonic

update pimd/*/bosonic examples

2025-03-13 04:00:54 -04:00

plumed

update list of dependencies

2024-08-28 15:30:44 -04:00

pod

Remove unused parameters, change command name, and update documentation and examples..

2024-06-24 22:32:35 -04:00

ptm

rename example folders

2021-06-29 11:23:47 -04:00

qtb

update example inputs and logs for change in ReaxFF required name

2023-11-30 10:31:08 -05:00

quip

add data/units comments to example quip potential files

2021-07-20 19:31:52 -04:00

rann

rename example folders

2021-06-29 11:23:47 -04:00

reaction

consistent 'nofix' options for write_data

2024-10-13 22:18:49 -04:00

rhok

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

scafacos

bulk rename of remaining USER- packages

2021-06-29 20:12:59 -04:00

slater

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

smtbq

move sources and examples for smatb styles to SMTBQ package folders

2022-04-27 15:14:02 -04:00

sna_nnn_slcsa

minor fix

2023-12-13 11:57:03 -05:00

sph

Fix SPH shock tube 2d example input deck

2022-11-23 15:14:12 +01:00

srp

reformat, simplify, add reference log files

2021-07-29 15:40:43 -04:00

srp_react

Initial commit for pair style srp-react files

2022-07-06 10:55:14 -04:00

stressprofile

updating to match new 1d syntax

2025-01-29 13:29:15 -07:00

tally

bulk rename of remaining USER- packages

2021-06-29 20:12:59 -04:00

temper_npt

move examples away from USER-MISC now that the package folder is gone

2021-07-24 20:53:23 -04:00

ti

fixed issues with several input scripts, added reference log files

2025-03-11 16:10:04 -05:00

tmd

add minimal fix tmd example

2022-03-31 07:31:43 -04:00

uef

bulk rename of remaining USER- packages

2021-06-29 20:12:59 -04:00

uf3

update ML-UF3 example

2024-05-13 20:29:20 -04:00

vtk

rename example folders

2021-06-29 11:23:47 -04:00

yaff

rename example folders

2021-06-29 11:23:47 -04:00