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Doc file updates, reverting h_rate initialization

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This commit is contained in:
jtclemm
2024-02-20 21:02:55 -07:00
parent 3358fe36d1
commit 4c0952dc70
4 changed files with 105 additions and 595 deletions
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31
src/fix_deform.cpp
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@ -372,16 +372,6 @@ irregular(nullptr), set(nullptr)
if (force_reneighbor) irregular = new Irregular(lmp);
else irregular = nullptr;
// initialize all rates to 0.0 in constructor instead of init so values persist
// across run statements and ghosts have correct velocities until the destructor
h_rate = domain->h_rate;
h_ratelo = domain->h_ratelo;
for (int i = 0; i < 3; i++)
h_rate[i] = h_ratelo[i] = 0.0;
for (int i = 3; i < 6; i++)
h_rate[i] = 0.0;
}
/* ---------------------------------------------------------------------- */
@ -597,13 +587,18 @@ void FixDeform::init()
}
// set domain->h_rate values for use by domain and other fixes/computes
// initialize all rates to 0.0
// cannot set here for TRATE,VOLUME,WIGGLE,VARIABLE since not constant
h_rate = domain->h_rate;
h_ratelo = domain->h_ratelo;
for (int i = 0; i < 3; i++) {
h_rate[i] = h_ratelo[i] = 0.0;
if (set[i].style == FINAL || set[i].style == DELTA ||
set[i].style == SCALE || set[i].style == VEL ||
set[i].style == ERATE) {
double dlo_dt,dhi_dt;
double dlo_dt, dhi_dt;
if (delt != 0.0) {
dlo_dt = (set[i].lo_stop - set[i].lo_start) / delt;
dhi_dt = (set[i].hi_stop - set[i].hi_start) / delt;
@ -614,6 +609,7 @@ void FixDeform::init()
}
for (int i = 3; i < 6; i++) {
h_rate[i] = 0.0;
if (set[i].style == FINAL || set[i].style == DELTA ||
set[i].style == VEL || set[i].style == ERATE) {
if (delt != 0.0)
@ -961,10 +957,8 @@ void FixDeform::update_domain()
void FixDeform::write_restart(FILE *fp)
{
if (comm->me == 0) {
int size = 9 * sizeof(double) + 6 * sizeof(Set);
int size = 6 * sizeof(Set);
fwrite(&size, sizeof(int), 1, fp);
fwrite(h_rate, sizeof(double), 6, fp);
fwrite(h_ratelo, sizeof(double), 3, fp);
fwrite(set, sizeof(Set), 6, fp);
}
}
@ -975,15 +969,8 @@ void FixDeform::write_restart(FILE *fp)
void FixDeform::restart(char *buf)
{
int n = 0;
auto list = (double *) buf;
for (int i = 0; i < 6; i++)
h_rate[i] = list[n++];
for (int i = 0; i < 3; i++)
h_ratelo[i] = list[n++];
int samestyle = 1;
Set *set_restart = (Set *) &buf[n * sizeof(double)];
Set *set_restart = (Set *) buf;
for (int i = 0; i < 6; ++i) {
// restore data from initial state
set[i].lo_initial = set_restart[i].lo_initial;