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