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

Fixing complier issues, adding dump options, initail conduction

Browse Source
This commit is contained in:
jtclemm
2022-06-18 10:11:57 -06:00
parent 468a6d9f29
commit 1faa7397d3
16 changed files with 1171 additions and 435 deletions
Download Patch File Download Diff File Expand all files Collapse all files

5
src/fix_neigh_history.cpp
View File

@ -353,7 +353,8 @@ void FixNeighHistory::pre_exchange_newton()
// Ensure npartner is zeroed across all atoms, nall_neigh can be less than nall
// when writing restarts when comm calls are made but modify->post_neighbor() isn't
for (i = 0; i < MAX(nall_neigh, atom->nall); i++) npartner[i] = 0;
int nall = atom->nlocal + atom->nghost;
for (i = 0; i < MAX(nall_neigh, nall); i++) npartner[i] = 0;
tagint *tag = atom->tag;
NeighList *list = pair->list;
@ -408,7 +409,7 @@ void FixNeighHistory::pre_exchange_newton()
// store partner IDs and values for owned+ghost atoms
// re-zero npartner to use as counter
for (i = 0; i < MAX(nall_neigh, atom->nall); i++) npartner[i] = 0;
for (i = 0; i < MAX(nall_neigh, nall); i++) npartner[i] = 0;
for (ii = 0; ii < inum; ii++) {
i = ilist[ii];