forked from lijiext/lammps
revert permission change and replace 'b/c' with 'because'
This commit is contained in:
parent
d0720794a6
commit
e3beec8b95
|
@ -1541,7 +1541,7 @@ int FixWallGran::pack_restart(int i, double *buf)
|
||||||
if (!use_history) return 0;
|
if (!use_history) return 0;
|
||||||
|
|
||||||
int n = 0;
|
int n = 0;
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[n++] = size_history + 1;
|
buf[n++] = size_history + 1;
|
||||||
for (int m = 0; m < size_history; m++)
|
for (int m = 0; m < size_history; m++)
|
||||||
buf[n++] = history_one[i][m];
|
buf[n++] = history_one[i][m];
|
||||||
|
@ -1559,7 +1559,7 @@ void FixWallGran::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -479,7 +479,7 @@ int FixWallGranRegion::pack_restart(int i, double *buf)
|
||||||
for (m = 0; m < size_history; m++)
|
for (m = 0; m < size_history; m++)
|
||||||
buf[n++] = history_many[i][iwall][m];
|
buf[n++] = history_many[i][iwall][m];
|
||||||
}
|
}
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = n;
|
buf[0] = n;
|
||||||
return n;
|
return n;
|
||||||
}
|
}
|
||||||
|
@ -497,7 +497,7 @@ void FixWallGranRegion::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -547,7 +547,7 @@ int FixGLD::unpack_exchange(int nlocal, double *buf)
|
||||||
int FixGLD::pack_restart(int i, double *buf)
|
int FixGLD::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
int m = 0;
|
int m = 0;
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[m++] = 3*prony_terms + 1;
|
buf[m++] = 3*prony_terms + 1;
|
||||||
for (int k = 0; k < 3*prony_terms; k=k+3)
|
for (int k = 0; k < 3*prony_terms; k=k+3)
|
||||||
{
|
{
|
||||||
|
@ -567,7 +567,7 @@ void FixGLD::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to the nth set of extended variables
|
// skip to the nth set of extended variables
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i< nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i< nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -656,7 +656,7 @@ void FixTTM::restart(char *buf)
|
||||||
|
|
||||||
int FixTTM::pack_restart(int i, double *buf)
|
int FixTTM::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = 4;
|
buf[0] = 4;
|
||||||
buf[1] = flangevin[i][0];
|
buf[1] = flangevin[i][0];
|
||||||
buf[2] = flangevin[i][1];
|
buf[2] = flangevin[i][1];
|
||||||
|
@ -673,7 +673,7 @@ void FixTTM::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -1041,7 +1041,7 @@ void FixCMAP::read_data_header(char *line)
|
||||||
sscanf(line,BIGINT_FORMAT,&ncmap);
|
sscanf(line,BIGINT_FORMAT,&ncmap);
|
||||||
} else error->all(FLERR,"Invalid read data header line for fix cmap");
|
} else error->all(FLERR,"Invalid read data header line for fix cmap");
|
||||||
|
|
||||||
// didn't set in constructor b/c this fix could be defined
|
// didn't set in constructor because this fix could be defined
|
||||||
// before newton command
|
// before newton command
|
||||||
|
|
||||||
newton_bond = force->newton_bond;
|
newton_bond = force->newton_bond;
|
||||||
|
@ -1291,7 +1291,7 @@ int FixCMAP::pack_restart(int i, double *buf)
|
||||||
buf[n++] = ubuf(crossterm_atom4[i][m]).d;
|
buf[n++] = ubuf(crossterm_atom4[i][m]).d;
|
||||||
buf[n++] = ubuf(crossterm_atom5[i][m]).d;
|
buf[n++] = ubuf(crossterm_atom5[i][m]).d;
|
||||||
}
|
}
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = n;
|
buf[0] = n;
|
||||||
|
|
||||||
return n;
|
return n;
|
||||||
|
@ -1306,7 +1306,7 @@ void FixCMAP::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int n = 0;
|
int n = 0;
|
||||||
for (int i = 0; i < nth; i++) n += static_cast<int> (extra[nlocal][n]);
|
for (int i = 0; i < nth; i++) n += static_cast<int> (extra[nlocal][n]);
|
||||||
|
|
|
@ -822,7 +822,7 @@ int FixGLE::unpack_exchange(int nlocal, double *buf)
|
||||||
int FixGLE::pack_restart(int i, double *buf)
|
int FixGLE::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
int m = 0;
|
int m = 0;
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[m++] = 3*ns + 1;
|
buf[m++] = 3*ns + 1;
|
||||||
for (int k = 0; k < 3*ns; k=k+3)
|
for (int k = 0; k < 3*ns; k=k+3)
|
||||||
{
|
{
|
||||||
|
@ -842,7 +842,7 @@ void FixGLE::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to the nth set of extended variables
|
// skip to the nth set of extended variables
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i< nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i< nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -794,7 +794,7 @@ int FixPIMD::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
int offset=0;
|
int offset=0;
|
||||||
int pos = i * 3;
|
int pos = i * 3;
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[offset++] = size_peratom_cols+1;
|
buf[offset++] = size_peratom_cols+1;
|
||||||
|
|
||||||
memcpy(buf+offset, nhc_eta[pos], nhc_size_one_1); offset += nhc_offset_one_1;
|
memcpy(buf+offset, nhc_eta[pos], nhc_size_one_1); offset += nhc_offset_one_1;
|
||||||
|
@ -812,7 +812,7 @@ void FixPIMD::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i=0; i<nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i=0; i<nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -114,7 +114,7 @@ void FixSRP::init()
|
||||||
error->all(FLERR,"Illegal bond particle type");
|
error->all(FLERR,"Illegal bond particle type");
|
||||||
|
|
||||||
// this fix must come before any fix which migrates atoms in its pre_exchange()
|
// this fix must come before any fix which migrates atoms in its pre_exchange()
|
||||||
// b/c this fix's pre_exchange() creates per-atom data structure
|
// because this fix's pre_exchange() creates per-atom data structure
|
||||||
// that data must be current for atom migration to carry it along
|
// that data must be current for atom migration to carry it along
|
||||||
|
|
||||||
for (int i = 0; i < modify->nfix; i++) {
|
for (int i = 0; i < modify->nfix; i++) {
|
||||||
|
@ -555,7 +555,7 @@ void FixSRP::post_run()
|
||||||
int FixSRP::pack_restart(int i, double *buf)
|
int FixSRP::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
int m = 0;
|
int m = 0;
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[m++] = 3;
|
buf[m++] = 3;
|
||||||
buf[m++] = array[i][0];
|
buf[m++] = array[i][0];
|
||||||
buf[m++] = array[i][1];
|
buf[m++] = array[i][1];
|
||||||
|
@ -571,7 +571,7 @@ void FixSRP::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++){
|
for (int i = 0; i < nth; i++){
|
||||||
|
|
|
@ -315,7 +315,7 @@ int FixTISpring::unpack_exchange(int nlocal, double *buf)
|
||||||
|
|
||||||
int FixTISpring::pack_restart(int i, double *buf)
|
int FixTISpring::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = 4;
|
buf[0] = 4;
|
||||||
buf[1] = xoriginal[i][0];
|
buf[1] = xoriginal[i][0];
|
||||||
buf[2] = xoriginal[i][1];
|
buf[2] = xoriginal[i][1];
|
||||||
|
@ -332,7 +332,7 @@ void FixTISpring::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -980,7 +980,7 @@ void FixTTMMod::restart(char *buf)
|
||||||
|
|
||||||
int FixTTMMod::pack_restart(int i, double *buf)
|
int FixTTMMod::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = 4;
|
buf[0] = 4;
|
||||||
buf[1] = flangevin[i][0];
|
buf[1] = flangevin[i][0];
|
||||||
buf[2] = flangevin[i][1];
|
buf[2] = flangevin[i][1];
|
||||||
|
@ -997,7 +997,7 @@ void FixTTMMod::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -948,7 +948,7 @@ int FixMesoMove::unpack_exchange (int nlocal, double *buf) {
|
||||||
------------------------------------------------------------------------- */
|
------------------------------------------------------------------------- */
|
||||||
|
|
||||||
int FixMesoMove::pack_restart (int i, double *buf) {
|
int FixMesoMove::pack_restart (int i, double *buf) {
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = 4;
|
buf[0] = 4;
|
||||||
buf[1] = xoriginal[i][0];
|
buf[1] = xoriginal[i][0];
|
||||||
buf[2] = xoriginal[i][1];
|
buf[2] = xoriginal[i][1];
|
||||||
|
@ -964,7 +964,7 @@ void FixMesoMove::unpack_restart (int nlocal, int nth) {
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -450,7 +450,7 @@ int FixSMD_TLSPH_ReferenceConfiguration::unpack_exchange(int nlocal, double *buf
|
||||||
|
|
||||||
int FixSMD_TLSPH_ReferenceConfiguration::pack_restart(int i, double *buf) {
|
int FixSMD_TLSPH_ReferenceConfiguration::pack_restart(int i, double *buf) {
|
||||||
int m = 0;
|
int m = 0;
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[m++] = 4 * npartner[i] + 2;
|
buf[m++] = 4 * npartner[i] + 2;
|
||||||
buf[m++] = npartner[i];
|
buf[m++] = npartner[i];
|
||||||
for (int n = 0; n < npartner[i]; n++) {
|
for (int n = 0; n < npartner[i]; n++) {
|
||||||
|
@ -471,7 +471,7 @@ void FixSMD_TLSPH_ReferenceConfiguration::unpack_restart(int /*nlocal*/, int /*n
|
||||||
// ipage = NULL if being called from granular pair style init()
|
// ipage = NULL if being called from granular pair style init()
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
// double **extra = atom->extra;
|
// double **extra = atom->extra;
|
||||||
//
|
//
|
||||||
|
|
|
@ -1193,7 +1193,7 @@ int FixMove::pack_restart(int i, double *buf)
|
||||||
buf[n++] = qoriginal[i][2];
|
buf[n++] = qoriginal[i][2];
|
||||||
buf[n++] = qoriginal[i][3];
|
buf[n++] = qoriginal[i][3];
|
||||||
}
|
}
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = n;
|
buf[0] = n;
|
||||||
return n;
|
return n;
|
||||||
}
|
}
|
||||||
|
@ -1207,7 +1207,7 @@ void FixMove::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -149,7 +149,7 @@ void FixNeighHistory::init()
|
||||||
error->all(FLERR,"Neighbor history requires atoms have IDs");
|
error->all(FLERR,"Neighbor history requires atoms have IDs");
|
||||||
|
|
||||||
// this fix must come before any fix which migrates atoms in its pre_exchange()
|
// this fix must come before any fix which migrates atoms in its pre_exchange()
|
||||||
// b/c this fix's pre_exchange() creates per-atom data structure
|
// because this fix's pre_exchange() creates per-atom data structure
|
||||||
// that data must be current for atom migration to carry it along
|
// that data must be current for atom migration to carry it along
|
||||||
|
|
||||||
for (int i = 0; i < modify->nfix; i++) {
|
for (int i = 0; i < modify->nfix; i++) {
|
||||||
|
@ -215,7 +215,7 @@ void FixNeighHistory::setup_post_neighbor()
|
||||||
called during run before atom exchanges, including for restart files
|
called during run before atom exchanges, including for restart files
|
||||||
called at end of run via post_run()
|
called at end of run via post_run()
|
||||||
do not call during setup of run (setup_pre_exchange)
|
do not call during setup of run (setup_pre_exchange)
|
||||||
b/c there is no guarantee of a current NDS (even on continued run)
|
because there is no guarantee of a current NDS (even on continued run)
|
||||||
if run command does a 2nd run with pre = no, then no neigh list
|
if run command does a 2nd run with pre = no, then no neigh list
|
||||||
will be built, but old neigh list will still have the info
|
will be built, but old neigh list will still have the info
|
||||||
onesided and newton on and newton off versions
|
onesided and newton on and newton off versions
|
||||||
|
@ -242,7 +242,7 @@ void FixNeighHistory::pre_exchange_onesided()
|
||||||
double *allvalues,*onevalues;
|
double *allvalues,*onevalues;
|
||||||
|
|
||||||
// NOTE: all operations until very end are with nlocal_neigh <= current nlocal
|
// NOTE: all operations until very end are with nlocal_neigh <= current nlocal
|
||||||
// b/c previous neigh list was built with nlocal_neigh
|
// because previous neigh list was built with nlocal_neigh
|
||||||
// nlocal can be larger if other fixes added atoms at this pre_exchange()
|
// nlocal can be larger if other fixes added atoms at this pre_exchange()
|
||||||
|
|
||||||
// clear two paged data structures
|
// clear two paged data structures
|
||||||
|
@ -335,7 +335,7 @@ void FixNeighHistory::pre_exchange_newton()
|
||||||
|
|
||||||
// NOTE: all operations until very end are with
|
// NOTE: all operations until very end are with
|
||||||
// nlocal_neigh <= current nlocal and nall_neigh
|
// nlocal_neigh <= current nlocal and nall_neigh
|
||||||
// b/c previous neigh list was built with nlocal_neigh & nghost_neigh
|
// because previous neigh list was built with nlocal_neigh & nghost_neigh
|
||||||
// nlocal can be larger if other fixes added atoms at this pre_exchange()
|
// nlocal can be larger if other fixes added atoms at this pre_exchange()
|
||||||
|
|
||||||
// clear two paged data structures
|
// clear two paged data structures
|
||||||
|
@ -430,7 +430,7 @@ void FixNeighHistory::pre_exchange_newton()
|
||||||
|
|
||||||
// perform reverse comm to augment
|
// perform reverse comm to augment
|
||||||
// owned atom partner/valuepartner with ghost info
|
// owned atom partner/valuepartner with ghost info
|
||||||
// use variable variant b/c size of packed data can be arbitrarily large
|
// use variable variant because size of packed data can be arbitrarily large
|
||||||
// if many touching neighbors for large particle
|
// if many touching neighbors for large particle
|
||||||
|
|
||||||
commflag = PERPARTNER;
|
commflag = PERPARTNER;
|
||||||
|
@ -463,7 +463,7 @@ void FixNeighHistory::pre_exchange_no_newton()
|
||||||
double *allvalues,*onevalues,*jvalues;
|
double *allvalues,*onevalues,*jvalues;
|
||||||
|
|
||||||
// NOTE: all operations until very end are with nlocal_neigh <= current nlocal
|
// NOTE: all operations until very end are with nlocal_neigh <= current nlocal
|
||||||
// b/c previous neigh list was built with nlocal_neigh
|
// because previous neigh list was built with nlocal_neigh
|
||||||
// nlocal can be larger if other fixes added atoms at this pre_exchange()
|
// nlocal can be larger if other fixes added atoms at this pre_exchange()
|
||||||
|
|
||||||
// clear two paged data structures
|
// clear two paged data structures
|
||||||
|
@ -708,10 +708,10 @@ void FixNeighHistory::grow_arrays(int nmax)
|
||||||
void FixNeighHistory::copy_arrays(int i, int j, int /*delflag*/)
|
void FixNeighHistory::copy_arrays(int i, int j, int /*delflag*/)
|
||||||
{
|
{
|
||||||
// just copy pointers for partner and valuepartner
|
// just copy pointers for partner and valuepartner
|
||||||
// b/c can't overwrite chunk allocation inside ipage_atom,dpage_atom
|
// because can't overwrite chunk allocation inside ipage_atom,dpage_atom
|
||||||
// incoming atoms in unpack_exchange just grab new chunks
|
// incoming atoms in unpack_exchange just grab new chunks
|
||||||
// so are orphaning chunks for migrating atoms
|
// so are orphaning chunks for migrating atoms
|
||||||
// OK, b/c will reset ipage_atom,dpage_atom on next reneighboring
|
// OK, because will reset ipage_atom,dpage_atom on next reneighboring
|
||||||
|
|
||||||
npartner[j] = npartner[i];
|
npartner[j] = npartner[i];
|
||||||
partner[j] = partner[i];
|
partner[j] = partner[i];
|
||||||
|
@ -853,7 +853,7 @@ int FixNeighHistory::pack_restart(int i, double *buf)
|
||||||
memcpy(&buf[m],&valuepartner[i][dnum*n],dnumbytes);
|
memcpy(&buf[m],&valuepartner[i][dnum*n],dnumbytes);
|
||||||
m += dnum;
|
m += dnum;
|
||||||
}
|
}
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = m;
|
buf[0] = m;
|
||||||
return m;
|
return m;
|
||||||
}
|
}
|
||||||
|
@ -869,7 +869,7 @@ void FixNeighHistory::unpack_restart(int nlocal, int nth)
|
||||||
if (ipage_atom == NULL) allocate_pages();
|
if (ipage_atom == NULL) allocate_pages();
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
|
|
|
@ -192,7 +192,7 @@ int FixPropertyAtom::setmask()
|
||||||
void FixPropertyAtom::init()
|
void FixPropertyAtom::init()
|
||||||
{
|
{
|
||||||
// error if atom style has changed since fix was defined
|
// error if atom style has changed since fix was defined
|
||||||
// don't allow this b/c user could change to style that defines molecule,q
|
// don't allow this because user could change to style that defines molecule,q
|
||||||
|
|
||||||
if (strcmp(astyle,atom->atom_style) != 0)
|
if (strcmp(astyle,atom->atom_style) != 0)
|
||||||
error->all(FLERR,"Atom style was redefined after using fix property/atom");
|
error->all(FLERR,"Atom style was redefined after using fix property/atom");
|
||||||
|
@ -579,7 +579,7 @@ int FixPropertyAtom::unpack_exchange(int nlocal, double *buf)
|
||||||
|
|
||||||
int FixPropertyAtom::pack_restart(int i, double *buf)
|
int FixPropertyAtom::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = nvalue+1;
|
buf[0] = nvalue+1;
|
||||||
|
|
||||||
int m = 1;
|
int m = 1;
|
||||||
|
@ -603,7 +603,7 @@ void FixPropertyAtom::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -264,7 +264,7 @@ int FixSpringSelf::unpack_exchange(int nlocal, double *buf)
|
||||||
|
|
||||||
int FixSpringSelf::pack_restart(int i, double *buf)
|
int FixSpringSelf::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = 4;
|
buf[0] = 4;
|
||||||
buf[1] = xoriginal[i][0];
|
buf[1] = xoriginal[i][0];
|
||||||
buf[2] = xoriginal[i][1];
|
buf[2] = xoriginal[i][1];
|
||||||
|
@ -281,7 +281,7 @@ void FixSpringSelf::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -280,7 +280,7 @@ int FixStore::pack_restart(int i, double *buf)
|
||||||
return 1;
|
return 1;
|
||||||
}
|
}
|
||||||
|
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = nvalues+1;
|
buf[0] = nvalues+1;
|
||||||
if (vecflag) buf[1] = vstore[i];
|
if (vecflag) buf[1] = vstore[i];
|
||||||
else
|
else
|
||||||
|
@ -300,7 +300,7 @@ void FixStore::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
|
@ -611,7 +611,7 @@ int FixStoreState::unpack_exchange(int nlocal, double *buf)
|
||||||
|
|
||||||
int FixStoreState::pack_restart(int i, double *buf)
|
int FixStoreState::pack_restart(int i, double *buf)
|
||||||
{
|
{
|
||||||
// pack buf[0] this way b/c other fixes unpack it
|
// pack buf[0] this way because other fixes unpack it
|
||||||
buf[0] = nvalues+1;
|
buf[0] = nvalues+1;
|
||||||
for (int m = 0; m < nvalues; m++) buf[m+1] = values[i][m];
|
for (int m = 0; m < nvalues; m++) buf[m+1] = values[i][m];
|
||||||
return nvalues+1;
|
return nvalues+1;
|
||||||
|
@ -626,7 +626,7 @@ void FixStoreState::unpack_restart(int nlocal, int nth)
|
||||||
double **extra = atom->extra;
|
double **extra = atom->extra;
|
||||||
|
|
||||||
// skip to Nth set of extra values
|
// skip to Nth set of extra values
|
||||||
// unpack the Nth first values this way b/c other fixes pack them
|
// unpack the Nth first values this way because other fixes pack them
|
||||||
|
|
||||||
int m = 0;
|
int m = 0;
|
||||||
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
|
||||||
|
|
Loading…
Reference in New Issue