Axel Kohlmeyer 00be75e084 update example inputs and logs for change in ReaxFF required name

2023-11-30 10:31:08 -05:00

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buck.inc

small updates to the QEQ package for better testing

2021-04-20 14:00:51 -04:00

data.aC

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data.CHO

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ffield.reax.cho

update log files for qeq and rdf-adf examples

2018-11-29 15:15:14 -05:00

in.qeq.buck

small updates to the QEQ package for better testing

2021-04-20 14:00:51 -04:00

in.qeq.reaxff

update example inputs and logs for change in ReaxFF required name

2023-11-30 10:31:08 -05:00

log.20Apr21.qeq.buck.g++.1

small updates to the QEQ package for better testing

2021-04-20 14:00:51 -04:00

log.20Apr21.qeq.buck.g++.4

small updates to the QEQ package for better testing

2021-04-20 14:00:51 -04:00

log.30Nov23.reaxff.g++.1

update example inputs and logs for change in ReaxFF required name

2023-11-30 10:31:08 -05:00

log.30Nov23.reaxff.g++.4

update example inputs and logs for change in ReaxFF required name

2023-11-30 10:31:08 -05:00

param.qeq1

add UNITS keyword comments to fix qeq parameter files

2021-04-18 04:02:18 -04:00

param.qeq2

add UNITS keyword comments to fix qeq parameter files

2021-04-18 04:02:18 -04:00

param.qeq.reax

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