new neighbor list request for newer LAMMPS

brucefan1983 / NEP_CPU

CPU version of NEP

GNU General Public License v3.0

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new neighbor list request for newer LAMMPS #6

Closed brucefan1983 closed 2 years ago

brucefan1983 commented 2 years ago

Starting from version 20220324, LAMMPS uses a new method of neighbor list request.
To solve isssue: #5

bigd4 commented 2 years ago

Will it be better to get LAMMPS_VERSION_NUMBER by some function? It can be known from lammps/src/version.h and we can change it by add some thing in install.sh.

brucefan1983 commented 2 years ago

yes, we can use the macro in version.h, which is more automatic.