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lammps/examples/reaxff/water
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Navraj Lalli e11245d0fd Add examples for fix qeqr/reaxff
2025-03-20 10:42:12 +00:00
..
acks2_ff.water
move ACKS2 force field file to potentials folder and add LAMMPS-style metadata
2021-09-21 14:37:37 -04:00
data.water
Tweak example and add reference logs
2021-09-20 13:01:57 -06:00
gauss_exp.txt
Add water examples featuring fix qtpie/reaxff
2024-09-10 16:20:51 +01:00
in.water.acks2
whitespace
2021-10-13 18:25:13 -04:00
in.water.acks2.field
whitespace
2021-10-13 18:25:13 -04:00
in.water.qeq
whitespace
2021-10-13 18:25:13 -04:00
in.water.qeq.field
whitespace
2021-10-13 18:25:13 -04:00
in.water.qeqr
Add examples for fix qeqr/reaxff
2025-03-20 10:42:12 +00:00
in.water.qeqr.field
Add examples for fix qeqr/reaxff
2025-03-20 10:42:12 +00:00
in.water.qtpie
Add water examples featuring fix qtpie/reaxff
2024-09-10 16:20:51 +01:00
in.water.qtpie.field
Add water examples featuring fix qtpie/reaxff
2024-09-10 16:20:51 +01:00
log.1Feb25.water.acks2.field.g++.1
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.acks2.field.g++.4
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.acks2.g++.1
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.acks2.g++.4
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.gtpie.field.g++.1
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.gtpie.field.g++.4
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.qeq.field.g++.1
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.qeq.field.g++.4
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.qeq.g++.1
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.qeq.g++.4
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.qtpie.field.g++.1
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.qtpie.field.g++.4
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.qtpie.g++.1
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.1Feb25.water.qtpie.g++.4
update ReaxFF reference log files for current version of LAMMPS and use consistent names
2025-02-01 11:22:59 -05:00
log.20Mar25.reaxff.water-qeqr-field.g++.1
Add examples for fix qeqr/reaxff
2025-03-20 10:42:12 +00:00
log.20Mar25.reaxff.water-qeqr-field.g++.4
Add examples for fix qeqr/reaxff
2025-03-20 10:42:12 +00:00
log.20Mar25.reaxff.water-qeqr.g++.1
Add examples for fix qeqr/reaxff
2025-03-20 10:42:12 +00:00
log.20Mar25.reaxff.water-qeqr.g++.4
Add examples for fix qeqr/reaxff
2025-03-20 10:42:12 +00:00
qeq_ff.water
Add ACKS2 example
2021-09-20 12:23:19 -06:00