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7bff94910fbb4f7ecd1f6caeb7a5e302bc03e3c8
lammps/examples/USER/misc/tersoff_shift
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Wengen Ouyang c779b749b5 benchmark test for the optimized codes
2021-01-11 16:26:06 +02:00
..
after_change.lmp
benchmark test on tersoff shift
2021-01-05 11:53:44 +02:00
before_change.lmp
benchmark test on tersoff shift
2021-01-05 11:53:44 +02:00
BNC.tersoff
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
hBN-momolayer-5nm.data
Rearranged force calc to move shift-dependence out of low-level code
2020-12-28 20:00:18 -07:00
in.hBN_no_shift
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
in.hBN_shift
benchmark test for the optimized codes
2021-01-11 16:26:06 +02:00
in.Si_shift
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
log.31Dec20.hBN_no_shift.g++.1
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
log.31Dec20.hBN_no_shift.g++.4
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
log.31Dec20.hBN_shift.g++.1
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
log.31Dec20.hBN_shift.g++.4
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
log.31Dec20.Si_shift.g++.1
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
log.31Dec20.Si_shift.g++.4
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00
shift0_0K_after_change.lmp
benchmark test for shift=0
2021-01-05 17:45:01 +02:00
shift0_0K_before_change.lmp
benchmark test for shift=0
2021-01-05 17:45:01 +02:00
shift0_300K_after_change.lmp
benchmark test for shift=0
2021-01-05 17:45:01 +02:00
shift0_300K_before_change.lmp
benchmark test for shift=0
2021-01-05 17:45:01 +02:00
shift0.05_300K_after_change_corrected2.lmp
eliminating the discrepancies
2021-01-11 08:43:15 +02:00
shift0.05_300K_after_change_optimized.lmp
benchmark test for the optimized codes
2021-01-11 16:26:06 +02:00
shift0.05_300K_before_change_long.lmp
benchmark test for the optimized codes
2021-01-11 16:26:06 +02:00
shift0.05_300K_before_change.lmp
eliminating the discrepancies
2021-01-11 08:43:15 +02:00
Si.tersoff
Cleaned up the examples, added loop geom to velocity initializations
2020-12-31 21:22:24 -07:00