reference
efficient_neuronet60d5b70bdd0b9e44821de25…

Sep 12 2014

add test case for larger system names
60d5b70bdd0b
·Axel Kohlmeyer on Sep 12 2014, 09:30.

update data file with pre-style marker versions
d9b8b60b10bd
·Axel Kohlmeyer on Mar 7 2014, 15:02.
add second test case with triclinic cell
7119cc94b4d6
·Axel Kohlmeyer on Mar 7 2014, 00:08.
bugfix for triclinic cells
3ce3bfea5ecd
·Axel Kohlmeyer on Mar 7 2014, 00:06.

added new test case for class1 and class2
7c2fee933eca
·Axel Kohlmeyer on Oct 8 2013, 18:34.

add contributed test for triclinic and clayff
8e6777342774
·Axel Kohlmeyer on Jul 18 2013, 22:12.

finish conversion of original reference inputs to new scheme
2c0fe147e574
·Axel Kohlmeyer on Jul 12 2013, 17:49.
new test added naphthalene
47fd071935cc
·Axel Kohlmeyer on Jul 12 2013, 16:09.
update class2 reference output for ethane after bugfix
8521abad583a
·Axel Kohlmeyer on Jul 12 2013, 15:18.
add set of benzene molecule tests
024a29e6ed8d
·Axel Kohlmeyer on Jul 12 2013, 15:08.
update reference data after implementing write_data into class2 impropers
12c77237fb00
·Axel Kohlmeyer on Jul 12 2013, 13:44.
update reference data for shifted boxes
a52044609033
·Axel Kohlmeyer on Jul 12 2013, 09:29.
rename class2 reference files, too
af632edbf7fc
·Axel Kohlmeyer on Jul 12 2013, 00:06.

update reference data files with corrected versions
87579249082c
·Axel Kohlmeyer on Jul 11 2013, 21:41.
update reference data files to corrected versions
7d9e834df16f
·Axel Kohlmeyer on Jul 11 2013, 21:34.
next test example: one hydrogen and one water
4de9ded00908
·Axel Kohlmeyer on Jul 11 2013, 20:59.
add second test example: water
a47b17026742
·Axel Kohlmeyer on Jul 11 2013, 20:33.
add new regression test suite for msi2lmp and one pair of tests
e99ae55b6908
·Axel Kohlmeyer on Jul 11 2013, 19:47.