lammps

Files

Axel Kohlmeyer 2214992035 Merge branch 'openmp-master' into lammps-icms

Resolved Conflicts:
	.gitignore
	doc/fix_spring_self.txt
	lib/atc/Array.h
	lib/gpu/.gitignore
	src/.gitignore
	src/MAKE/Makefile.openmpi
	src/MAKE/Makefile.openmpi-omp
	src/STUBS/Makefile
	src/STUBS/mpi.c
	src/STUBS/mpi.h
	src/USER-CG-CMM/cg_cmm_parms.h
	src/dump.h
	src/fix_spring_self.cpp
	tools/restart2data.cpp

2011-12-31 19:59:13 -05:00

data

first stab at a regression test library

2011-11-20 20:14:42 -05:00

melt-lj

no reason to write and store dump files for tests

2010-06-17 11:22:44 -04:00

pair

move lj/sdk potentials into USER-CG-CMM package

2011-11-29 18:17:37 -05:00

restart

add tersoff/table support

2011-12-12 22:05:34 -05:00

setup

added test input without atoms. hack for pgi/openmp

2011-12-03 00:13:06 -05:00

config

added files and directory for regression testing

2010-06-17 11:06:03 -04:00

README

added files and directory for regression testing

2010-06-17 11:06:03 -04:00

regtest.py

added files and directory for regression testing

2010-06-17 11:06:03 -04:00

tests.py

added files and directory for regression testing

2010-06-17 11:06:03 -04:00

README

LAMMPS regression testing package.
Author: Peter Shannon, pietro.shannon@gmail.com

KEYWORDS are read from the config file in the root directory.  

KEYWORDS:
	default 	= file tested against
	test		= single file tested 
	test_folder	= directory to be tested*
	hooks		= hook for searching 
	run_data	= parameters in run output
	run_coef	= deviation coeffictients for run_data

	*Directories take precedence over single files if both keywords
	appear in the config file.  All files in a given directory must 
	be prefixed with "log.".