write out coordinates with correct image flags. various cleanups. bugfixes.
2e202dc7bfdf
Actions

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jul 18 2013, 21:31.

Description

write out coordinates with correct image flags. various cleanups. bugfixes. support shifting the system. prepare for supporting OPLS-AA cleanly.

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jul 18 2013, 21:31

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPScc3131dd6919: add test/benchmark for table pair style

Branches

Unknown

Tags

Unknown

				Path
	M			tools/msi2lmp/src/Forcefield.h
	M			tools/msi2lmp/src/GetParameters.c
	M			tools/msi2lmp/src/InitializeItems.c
	M			tools/msi2lmp/src/MakeLists.c
	M			tools/msi2lmp/src/ReadCarFile.c
	M			tools/msi2lmp/src/ReadFrcFile.c
	M			tools/msi2lmp/src/ReadMdfFile.c
	M			tools/msi2lmp/src/SearchAndFill.c
	M			tools/msi2lmp/src/WriteDataFile.c
	M			tools/msi2lmp/src/msi2lmp.c
	M			tools/msi2lmp/src/msi2lmp.h