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Rewiring arg parsing and data ownership

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This commit is contained in:
jtclemm
2024-01-30 15:29:02 -07:00
parent 7c7f07e28d
commit 7f152de062
4 changed files with 520 additions and 474 deletions
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367
src/fix_deform.cpp
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@ -34,6 +34,8 @@
#include <cmath>
#include <cstring>
#include <unordered_map>
#include <unordered_set>
using namespace LAMMPS_NS;
using namespace FixConst;
@ -56,15 +58,174 @@ irregular(nullptr), set(nullptr)
nevery = utils::inumeric(FLERR, arg[3], false, lmp);
if (nevery <= 0) error->all(FLERR, "Illegal fix deform command");
// arguments for child classes
std::unordered_set<std::string> child_parameters;
std::unordered_map<std::string, int> child_styles;
int nskip;
if (utils::strmatch(style, "pressure$")) {
child_parameters.insert("box");
child_styles.insert({{"pressure", 4}, {"pressure/mean", 4}, {"volume", 3}});
}
// set defaults
set = new Set[7];
memset(set, 0, 7 * sizeof(Set));
set = new Set[6];
memset(set, 0, 6 * sizeof(Set));
// parse arguments
int index;
int iarg = 4;
while (iarg < narg) {
if (strcmp(arg[iarg], "x") == 0 ||
strcmp(arg[iarg], "y") == 0 ||
strcmp(arg[iarg], "z") == 0) {
if (strcmp(arg[iarg], "x") == 0) index = 0;
else if (strcmp(arg[iarg], "y") == 0) index = 1;
else if (strcmp(arg[iarg], "z") == 0) index = 2;
if (strcmp(arg[iarg + 1], "final") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform final", error);
set[index].style = FINAL;
set[index].flo = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
set[index].fhi = utils::numeric(FLERR, arg[iarg + 3], false, lmp);
iarg += 4;
} else if (strcmp(arg[iarg + 1], "delta") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform delta", error);
set[index].style = DELTA;
set[index].dlo = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
set[index].dhi = utils::numeric(FLERR, arg[iarg + 3], false, lmp);
iarg += 4;
} else if (strcmp(arg[iarg + 1], "scale") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform scale", error);
set[index].style = SCALE;
set[index].scale = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "vel") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform vel", error);
set[index].style = VEL;
set[index].vel = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "erate") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform erate", error);
set[index].style = ERATE;
set[index].rate = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "trate") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform trate", error);
set[index].style = TRATE;
set[index].rate = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "volume") == 0) {
set[index].style = VOLUME;
iarg += 2;
} else if (strcmp(arg[iarg + 1], "wiggle") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform wiggle", error);
set[index].style = WIGGLE;
set[index].amplitude = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
set[index].tperiod = utils::numeric(FLERR, arg[iarg + 3], false, lmp);
if (set[index].tperiod <= 0.0)
error->all(FLERR, "Illegal fix deform wiggle period, must be positive");
iarg += 4;
} else if (strcmp(arg[iarg + 1], "variable") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform variable", error);
set[index].style = VARIABLE;
if (strstr(arg[iarg + 2], "v_") != arg[iarg + 2])
error->all(FLERR, "Illegal fix deform variable name {}", arg[iarg + 2]);
if (strstr(arg[iarg + 3], "v_") != arg[iarg + 3])
error->all(FLERR, "Illegal fix deform variable name {}", arg[iarg + 3]);
delete[] set[index].hstr;
delete[] set[index].hratestr;
set[index].hstr = utils::strdup(&arg[iarg + 2][2]);
set[index].hratestr = utils::strdup(&arg[iarg + 3][2]);
iarg += 4;
} else if (child_styles.find(arg[iarg + 1]) != child_styles.end()) {
nskip = child_styles[arg[iarg + 1]];
if (iarg + nskip > narg)
utils::missing_cmd_args(FLERR, fmt::format("fix {} {}", style, arg[iarg + 1]), error);
iarg += nskip;
} error->all(FLERR, "Illegal fix deform command argument: {}", arg[iarg + 1]);
} else if (strcmp(arg[iarg], "xy") == 0 ||
strcmp(arg[iarg], "xz") == 0 ||
strcmp(arg[iarg], "yz") == 0) {
if (strcmp(arg[iarg], "xy") == 0) index = 5;
else if (strcmp(arg[iarg], "xz") == 0) index = 4;
else if (strcmp(arg[iarg], "yz") == 0) index = 3;
if (strcmp(arg[iarg + 1], "final") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform final", error);
set[index].style = FINAL;
set[index].ftilt = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "delta") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform delta", error);
set[index].style = DELTA;
set[index].dtilt = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "vel") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform vel", error);
set[index].style = VEL;
set[index].vel = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "erate") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform erate", error);
set[index].style = ERATE;
set[index].rate = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "trate") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform trate", error);
set[index].style = TRATE;
set[index].rate = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "wiggle") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform wiggle", error);
set[index].style = WIGGLE;
set[index].amplitude = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
set[index].tperiod = utils::numeric(FLERR, arg[iarg + 3], false, lmp);
if (set[index].tperiod <= 0.0)
error->all(FLERR, "Illegal fix deform wiggle period, must be positive");
iarg += 4;
} else if (strcmp(arg[iarg + 1], "variable") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform variable", error);
set[index].style = VARIABLE;
if (strstr(arg[iarg + 2], "v_") != arg[iarg + 2])
error->all(FLERR, "Illegal fix deform variable name {}", arg[iarg + 2]);
if (strstr(arg[iarg + 3], "v_") != arg[iarg + 3])
error->all(FLERR, "Illegal fix deform variable name {}", arg[iarg + 3]);
delete[] set[index].hstr;
delete[] set[index].hratestr;
set[index].hstr = utils::strdup(&arg[iarg + 2][2]);
set[index].hratestr = utils::strdup(&arg[iarg + 3][2]);
iarg += 4;
} else if (child_styles.find(arg[iarg + 1]) != child_styles.end()) {
nskip = child_styles[arg[iarg + 1]];
if (iarg + nskip > narg)
utils::missing_cmd_args(FLERR, fmt::format("fix {} {}", style, arg[iarg + 1]), error);
iarg += nskip;
} error->all(FLERR, "Illegal fix deform command argument: {}", arg[iarg + 1]);
} else if (child_parameters.find(arg[iarg]) != child_parameters.end()) {
if (child_styles.find(arg[iarg + 1]) != child_styles.end()) {
nskip = child_styles[arg[iarg + 1]];
if (iarg + nskip > narg)
utils::missing_cmd_args(FLERR, fmt::format("fix {} {}", style, arg[iarg + 1]), error);
iarg += nskip;
} error->all(FLERR, "Illegal fix {} command argument: {}", style, arg[iarg + 1]);
} else break;
}
// reparse all arguments for optional keywords
options(narg - 4, &arg[4]);
// check triclinic
triclinic = domain->triclinic;
options(narg, arg);
if (triclinic == 0 && (set[3].style || set[4].style || set[5].style))
error->all(FLERR, "Fix deform tilt factors require triclinic box");
// no x remap effectively moves atoms within box, so set restart_pbc
@ -76,12 +237,6 @@ irregular(nullptr), set(nullptr)
if (set[i].style == NONE) dimflag[i] = 0;
else dimflag[i] = 1;
if (set[6].style != NONE) {
dimflag[0] = 1;
dimflag[1] = 1;
dimflag[2] = 1;
}
if (dimflag[0]) box_change |= BOX_CHANGE_X;
if (dimflag[1]) box_change |= BOX_CHANGE_Y;
if (dimflag[2]) box_change |= BOX_CHANGE_Z;
@ -93,7 +248,7 @@ irregular(nullptr), set(nullptr)
// b/c shrink wrap will change box-length
for (int i = 0; i < 3; i++)
if ((set[i].style || set[6].style) && (domain->boundary[i][0] >= 2 || domain->boundary[i][1] >= 2))
if (set[i].style && (domain->boundary[i][0] >= 2 || domain->boundary[i][1] >= 2))
error->all(FLERR, "Cannot use fix deform on a shrink-wrapped boundary");
// no tilt deformation on shrink-wrapped 2nd dim
@ -113,7 +268,7 @@ irregular(nullptr), set(nullptr)
if (set[i].style == FINAL || set[i].style == DELTA ||
set[i].style == VEL || set[i].style == WIGGLE) flag = 1;
double xscale,yscale,zscale;
double xscale, yscale, zscale;
if (flag && scaleflag) {
xscale = domain->lattice->xlattice;
yscale = domain->lattice->ylattice;
@ -187,10 +342,8 @@ irregular(nullptr), set(nullptr)
// set varflag
varflag = 0;
for (int i = 0; i < 7; i++) {
for (int i = 0; i < 6; i++)
if (set[i].style == VARIABLE) varflag = 1;
if (set[i].pvar_flag) varflag = 1;
}
// set initial values at time fix deform is issued
@ -202,7 +355,6 @@ irregular(nullptr), set(nullptr)
set[3].tilt_initial = domain->yz;
set[4].tilt_initial = domain->xz;
set[5].tilt_initial = domain->xy;
set[6].vol_initial = domain->xprd * domain->yprd * domain->zprd;
// reneighboring only forced if flips can occur due to shape changes
@ -231,10 +383,9 @@ irregular(nullptr), set(nullptr)
FixDeform::~FixDeform()
{
if (set) {
for (int i = 0; i < 7; i++) {
for (int i = 0; i < 6; i++) {
delete[] set[i].hstr;
delete[] set[i].hratestr;
delete[] set[i].pstr;
}
}
delete[] set;
@ -282,7 +433,7 @@ void FixDeform::init()
// check variables for VARIABLE style
for (int i = 0; i < 7; i++) {
for (int i = 0; i < 6; i++) {
if (set[i].style != VARIABLE) continue;
set[i].hvar = input->variable->find(set[i].hstr);
if (set[i].hvar < 0)
@ -403,8 +554,6 @@ void FixDeform::init()
}
}
set[6].vol_start = domain->xprd * domain->yprd * domain->zprd;
// if using tilt TRATE, then initial tilt must be non-zero
for (int i = 3; i < 6; i++)
@ -520,16 +669,16 @@ void FixDeform::end_of_step()
// set new box size for strain-based dims
set_strain();
apply_strain();
// set new box size for VOLUME dims that are linked to other dims
// NOTE: still need to set h_rate for these dims
set_volume();
apply_volume();
if (varflag) modify->addstep_compute(update->ntimestep + nevery);
apply_deformation();
update_domain();
// redo KSpace coeffs since box has changed
@ -537,10 +686,10 @@ void FixDeform::end_of_step()
}
/* ----------------------------------------------------------------------
set box size for strain-based dimensions
apply strain controls
------------------------------------------------------------------------- */
void FixDeform::set_strain()
void FixDeform::apply_strain()
{
// for NONE, target is current box size
// for TRATE, set target directly based on current time, also set h_rate
@ -620,10 +769,10 @@ void FixDeform::set_strain()
}
/* ----------------------------------------------------------------------
set box size for VOLUME dimensions
apply volume controls
------------------------------------------------------------------------- */
void FixDeform::set_volume()
void FixDeform::apply_volume()
{
double e1, e2;
@ -657,10 +806,10 @@ void FixDeform::set_volume()
}
/* ----------------------------------------------------------------------
Apply calculated deformation
Update box domain
------------------------------------------------------------------------- */
void FixDeform::apply_deformation()
void FixDeform::update_domain()
{
// tilt_target can be large positive or large negative value
// add/subtract box lengths until tilt_target is closest to current value
@ -766,22 +915,22 @@ void FixDeform::apply_deformation()
// reset global and local box to new size/shape
// only if deform fix is controlling the dimension
if (set[0].style || set[6].style) {
if (dimflag[0]) {
domain->boxlo[0] = set[0].lo_target;
domain->boxhi[0] = set[0].hi_target;
}
if (set[1].style || set[6].style) {
if (dimflag[1]) {
domain->boxlo[1] = set[1].lo_target;
domain->boxhi[1] = set[1].hi_target;
}
if (set[2].style || set[6].style) {
if (dimflag[2]) {
domain->boxlo[2] = set[2].lo_target;
domain->boxhi[2] = set[2].hi_target;
}
if (triclinic) {
if (set[3].style) domain->yz = set[3].tilt_target;
if (set[4].style) domain->xz = set[4].tilt_target;
if (set[5].style) domain->xy = set[5].tilt_target;
if (dimflag[3]) domain->yz = set[3].tilt_target;
if (dimflag[4]) domain->xz = set[4].tilt_target;
if (dimflag[5]) domain->xy = set[5].tilt_target;
}
domain->set_global_box();
@ -810,11 +959,11 @@ void FixDeform::apply_deformation()
void FixDeform::write_restart(FILE *fp)
{
if (comm->me == 0) {
int size = 9 * sizeof(double) + 7 * sizeof(Set);
int size = 9 * sizeof(double) + 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), 7, fp);
fwrite(set, sizeof(Set), 6, fp);
}
}
@ -833,16 +982,12 @@ void FixDeform::restart(char *buf)
int samestyle = 1;
Set *set_restart = (Set *) &buf[n * sizeof(double)];
for (int i = 0; i < 7; ++i) {
for (int i = 0; i < 6; ++i) {
// restore data from initial state
set[i].lo_initial = set_restart[i].lo_initial;
set[i].hi_initial = set_restart[i].hi_initial;
set[i].vol_initial = set_restart[i].vol_initial;
set[i].tilt_initial = set_restart[i].tilt_initial;
set[i].saved = set_restart[i].saved;
set[i].prior_rate = set_restart[i].prior_rate;
set[i].prior_pressure = set_restart[i].prior_pressure;
set[i].cumulative_strain = set_restart[i].cumulative_strain;
// check if style settings are consistent (should do the whole set?)
if (set[i].style != set_restart[i].style)
samestyle = 0;
@ -863,135 +1008,14 @@ void FixDeform::options(int narg, char **arg)
scaleflag = 1;
flipflag = 1;
int index;
int iarg = 4;
while (iarg < narg) {
if (strcmp(arg[iarg], "x") == 0 ||
strcmp(arg[iarg], "y") == 0 ||
strcmp(arg[iarg], "z") == 0) {
// arguments for child classes
if (strcmp(arg[iarg], "x") == 0) index = 0;
else if (strcmp(arg[iarg], "y") == 0) index = 1;
else if (strcmp(arg[iarg], "z") == 0) index = 2;
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "fix deform", error);
if (strcmp(arg[iarg + 1], "final") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform final", error);
set[index].style = FINAL;
set[index].flo = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
set[index].fhi = utils::numeric(FLERR, arg[iarg + 3], false, lmp);
iarg += 4;
} else if (strcmp(arg[iarg + 1], "delta") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform delta", error);
set[index].style = DELTA;
set[index].dlo = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
set[index].dhi = utils::numeric(FLERR, arg[iarg + 3], false, lmp);
iarg += 4;
} else if (strcmp(arg[iarg + 1], "scale") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform scale", error);
set[index].style = SCALE;
set[index].scale = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "vel") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform vel", error);
set[index].style = VEL;
set[index].vel = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "erate") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform erate", error);
set[index].style = ERATE;
set[index].rate = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "trate") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform trate", error);
set[index].style = TRATE;
set[index].rate = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "volume") == 0) {
set[index].style = VOLUME;
iarg += 2;
} else if (strcmp(arg[iarg + 1], "wiggle") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform wiggle", error);
set[index].style = WIGGLE;
set[index].amplitude = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
set[index].tperiod = utils::numeric(FLERR, arg[iarg + 3], false, lmp);
if (set[index].tperiod <= 0.0)
error->all(FLERR, "Illegal fix deform wiggle period, must be positive");
iarg += 4;
} else if (strcmp(arg[iarg + 1], "variable") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform variable", error);
set[index].style = VARIABLE;
if (strstr(arg[iarg + 2], "v_") != arg[iarg + 2])
error->all(FLERR, "Illegal fix deform variable name {}", arg[iarg + 2]);
if (strstr(arg[iarg + 3], "v_") != arg[iarg + 3])
error->all(FLERR, "Illegal fix deform variable name {}", arg[iarg + 3]);
delete[] set[index].hstr;
delete[] set[index].hratestr;
set[index].hstr = utils::strdup(&arg[iarg + 2][2]);
set[index].hratestr = utils::strdup(&arg[iarg + 3][2]);
iarg += 4;
} else error->all(FLERR, "Illegal fix deform command argument: {}", arg[iarg + 1]);
} else if (strcmp(arg[iarg], "xy") == 0 ||
strcmp(arg[iarg], "xz") == 0 ||
strcmp(arg[iarg], "yz") == 0) {
if (triclinic == 0)
error->all(FLERR, "Fix deform tilt factors require triclinic box");
if (strcmp(arg[iarg], "xy") == 0) index = 5;
else if (strcmp(arg[iarg], "xz") == 0) index = 4;
else if (strcmp(arg[iarg], "yz") == 0) index = 3;
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "fix deform", error);
if (strcmp(arg[iarg + 1], "final") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform final", error);
set[index].style = FINAL;
set[index].ftilt = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "delta") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform delta", error);
set[index].style = DELTA;
set[index].dtilt = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "vel") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform vel", error);
set[index].style = VEL;
set[index].vel = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "erate") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform erate", error);
set[index].style = ERATE;
set[index].rate = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "trate") == 0) {
if (iarg + 3 > narg) utils::missing_cmd_args(FLERR, "fix deform trate", error);
set[index].style = TRATE;
set[index].rate = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
iarg += 3;
} else if (strcmp(arg[iarg + 1], "wiggle") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform wiggle", error);
set[index].style = WIGGLE;
set[index].amplitude = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
set[index].tperiod = utils::numeric(FLERR, arg[iarg + 3], false, lmp);
if (set[index].tperiod <= 0.0)
error->all(FLERR, "Illegal fix deform wiggle period, must be positive");
iarg += 4;
} else if (strcmp(arg[iarg + 1], "variable") == 0) {
if (iarg + 4 > narg) utils::missing_cmd_args(FLERR, "fix deform variable", error);
set[index].style = VARIABLE;
if (strstr(arg[iarg + 2], "v_") != arg[iarg + 2])
error->all(FLERR, "Illegal fix deform variable name {}", arg[iarg + 2]);
if (strstr(arg[iarg + 3], "v_") != arg[iarg + 3])
error->all(FLERR, "Illegal fix deform variable name {}", arg[iarg + 3]);
delete[] set[index].hstr;
delete[] set[index].hratestr;
set[index].hstr = utils::strdup(&arg[iarg + 2][2]);
set[index].hratestr = utils::strdup(&arg[iarg + 3][2]);
iarg += 4;
} else error->all(FLERR, "Illegal fix deform command: {}", arg[iarg + 1]);
} else break;
}
std::unordered_map<std::string, int> child_options;
int nskip;
if (utils::strmatch(style, "pressure$"))
child_options.insert({{"couple", 2}, {"max/rate", 2}, {"normalize/pressure", 2}, {"vol/balance/p", 2}});
int iarg = 0;
while (iarg < narg) {
if (strcmp(arg[iarg], "remap") == 0) {
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "fix deform remap", error);
@ -1010,6 +1034,11 @@ void FixDeform::options(int narg, char **arg)
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "fix deform flip", error);
flipflag = utils::logical(FLERR, arg[iarg + 1], false, lmp);
iarg += 2;
} else if (child_options.find(arg[iarg]) != child_options.end()) {
nskip = child_options[arg[iarg]];
if (iarg + nskip > narg)
utils::missing_cmd_args(FLERR, fmt::format("fix {} {}", style, arg[iarg]), error);
iarg += nskip;
} else error->all(FLERR, "Illegal fix deform command: {}", arg[iarg]);
}
}