ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
db43aadf09b67e8643fad51084b9879eeb0387f6
lammps/examples/mliap
History
Aidan Thompson db43aadf09 Got compute working for quadratic model
2020-07-02 15:05:14 -06:00
..
compute.mliap.descriptor
Tweaked input to match snap/in.snap.compute
2020-07-01 17:06:55 -06:00
in.mliap.quadratic.compute
Got compute working for quadratic model
2020-07-02 15:05:14 -06:00
in.mliap.snap.chem
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
in.mliap.snap.compute
Correctly reproduced examples/in.snap.compute, not yet for quadratic case
2020-07-02 14:34:11 -06:00
in.mliap.snap.quadratic
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
in.mliap.snap.Ta06A
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
in.mliap.snap.WBe.PRB2019
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
InP_JCPA2020.mliap
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
InP_JCPA2020.mliap.descriptor
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
InP_JCPA2020.mliap.model
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
log.21Jun20.mliap.snap.chem.g++.1
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
log.21Jun20.mliap.snap.chem.g++.4
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
log.21Jun20.mliap.snap.quadratic.g++.1
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
log.21Jun20.mliap.snap.quadratic.g++.4
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
log.21Jun20.mliap.snap.Ta06A.g++.1
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
log.21Jun20.mliap.snap.Ta06A.g++.4
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
log.21Jun20.mliap.snap.WBe.PRB201.g++.1
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
log.21Jun20.mliap.snap.WBe.PRB201.g++.4
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
log.snap.Ta06A.ref
Now using mix and match syntax
2020-04-05 00:21:31 -06:00
Ta06A.mliap
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
Ta06A.mliap.descriptor
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
Ta06A.mliap.model
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
W.quadratic.mliap
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
W.quadratic.mliap.descriptor
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
W.quadratic.mliap.model
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
WBe_Wood_PRB2019.mliap
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
WBe_Wood_PRB2019.mliap.descriptor
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00
WBe_Wood_PRB2019.mliap.model
move MLIAP potential files to potentials folder and replace with symlinks
2020-06-23 09:34:34 -04:00