ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

"stringify" and "vectorize" processing of per-atom attributs in AtomVec classes

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-04-14 11:06:10 -04:00
parent 1755d06870
commit b16d48aa41
37 changed files with 1596 additions and 1832 deletions
Download Patch File Download Diff File Expand all files Collapse all files

25
src/atom_vec_charge.cpp
View File

@ -1,4 +1,3 @@
// clang-format off
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
@ -31,18 +30,18 @@ AtomVecCharge::AtomVecCharge(LAMMPS *lmp) : AtomVec(lmp)
// order of fields in a string does not matter
// except: fields_data_atom & fields_data_vel must match data file
fields_grow = (char *) "q";
fields_copy = (char *) "q";
fields_comm = (char *) "";
fields_comm_vel = (char *) "";
fields_reverse = (char *) "";
fields_border = (char *) "q";
fields_border_vel = (char *) "q";
fields_exchange = (char *) "q";
fields_restart = (char *) "q";
fields_create = (char *) "q";
fields_data_atom = (char *) "id type q x";
fields_data_vel = (char *) "id v";
fields_grow = {"q"};
fields_copy = {"q"};
fields_comm = {};
fields_comm_vel = {};
fields_reverse = {};
fields_border = {"q"};
fields_border_vel = {"q"};
fields_exchange = {"q"};
fields_restart = {"q"};
fields_create = {"q"};
fields_data_atom = {"id", "type", "q", "x"};
fields_data_vel = {"id", "v"};
setup_fields();
}