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db4cb2cb4f7e5caf33be8d6dff2362970e0af313
lammps/src/MLIAP
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Richard Berger 1a0095e51b Use utils::logmesg() and fmt::format()
2020-06-23 08:32:17 -04:00
..
mliap_descriptor_snap.cpp
Use utils::logmesg() and fmt::format()
2020-06-23 08:32:17 -04:00
mliap_descriptor_snap.h
Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
2020-06-21 18:05:34 -06:00
mliap_descriptor.cpp
Created class ComputeSNAP, not completely finished, but compiles
2020-04-07 20:51:39 -06:00
mliap_descriptor.h
Created class ComputeSNAP, not completely finished, but compiles
2020-04-07 20:51:39 -06:00
mliap_model_linear.cpp
Created class ComputeSNAP, not completely finished, but compiles
2020-04-07 20:51:39 -06:00
mliap_model_linear.h
Created class ComputeSNAP, not completely finished, but compiles
2020-04-07 20:51:39 -06:00
mliap_model_quadratic.cpp
Created class ComputeSNAP, not completely finished, but compiles
2020-04-07 20:51:39 -06:00
mliap_model_quadratic.h
Created class ComputeSNAP, not completely finished, but compiles
2020-04-07 20:51:39 -06:00
mliap_model.cpp
Fixed a few minor problems
2020-06-22 09:11:38 -06:00
mliap_model.h
Created class ComputeSNAP, not completely finished, but compiles
2020-04-07 20:51:39 -06:00
pair_mliap.cpp
Finished first version of MLIAP package
2020-06-21 19:57:08 -06:00
pair_mliap.h
Added custom tally functions
2020-04-06 17:05:43 -06:00
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