msi2lmp bugfix and cleanup
05dd9fe9fb5d
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 8 2013, 15:57.

Description

msi2lmp bugfix and cleanup

Fixed a memory access violation with Class 2 force fields.
Free all allocated memory to better detection of memory errors.
Print out version number and data with all print levels > 0.
Added valgrind checks to the regression tests

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 8 2013, 15:57

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS8b9d983baa37: new variable style "getenv" to access environment variables

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS05dd9fe9fb5d: msi2lmp bugfix and cleanup (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 8 2013, 15:57

Changes (8)

				Path
	M			tools/msi2lmp/README
	M			tools/msi2lmp/src/Forcefield.h
	M			tools/msi2lmp/src/MakeLists.c
	M			tools/msi2lmp/src/ReadFrcFile.c
	M			tools/msi2lmp/src/SearchAndFill.c
	M			tools/msi2lmp/src/msi2lmp.c
	M			tools/msi2lmp/src/msi2lmp.h
	M			tools/msi2lmp/test/runtests.sh