ICODE-ADC/lammps
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replace calls to force->*numeric() with the corresponding utils::*numeric()

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this also removes the now obsolete functions from Force
This commit is contained in:
Axel Kohlmeyer
2020-08-29 19:32:03 -04:00
parent 27b4e93bf5
commit 96d8d12a88
506 changed files with 3042 additions and 3135 deletions
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6
src/MISC/dump_xtc.cpp
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@ -283,7 +283,7 @@ int DumpXTC::modify_param(int narg, char **arg)
return 2;
} else if (strcmp(arg[0],"precision") == 0) {
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
precision = force->numeric(FLERR,arg[1]);
precision = utils::numeric(FLERR,arg[1],false,lmp);
if ((fabs(precision-10.0) > EPS) && (fabs(precision-100.0) > EPS) &&
(fabs(precision-1000.0) > EPS) && (fabs(precision-10000.0) > EPS) &&
(fabs(precision-100000.0) > EPS) &&
@ -292,13 +292,13 @@ int DumpXTC::modify_param(int narg, char **arg)
return 2;
} else if (strcmp(arg[0],"sfactor") == 0) {
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
sfactor = force->numeric(FLERR,arg[1]);
sfactor = utils::numeric(FLERR,arg[1],false,lmp);
if (sfactor <= 0.0)
error->all(FLERR,"Illegal dump_modify sfactor value (must be > 0.0)");
return 2;
} else if (strcmp(arg[0],"tfactor") == 0) {
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
tfactor = force->numeric(FLERR,arg[1]);
tfactor = utils::numeric(FLERR,arg[1],false,lmp);
if (tfactor <= 0.0)
error->all(FLERR,"Illegal dump_modify tfactor value (must be > 0.0)");
return 2;

64
src/MISC/fix_deposit.cpp
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@ -56,10 +56,10 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
// required args
ninsert = force->inumeric(FLERR,arg[3]);
ntype = force->inumeric(FLERR,arg[4]);
nfreq = force->inumeric(FLERR,arg[5]);
seed = force->inumeric(FLERR,arg[6]);
ninsert = utils::inumeric(FLERR,arg[3],false,lmp);
ntype = utils::inumeric(FLERR,arg[4],false,lmp);
nfreq = utils::inumeric(FLERR,arg[5],false,lmp);
seed = utils::inumeric(FLERR,arg[6],false,lmp);
if (seed <= 0) error->all(FLERR,"Illegal fix deposit command");
@ -712,9 +712,9 @@ void FixDeposit::options(int narg, char **arg)
} else if (strcmp(arg[iarg],"molfrac") == 0) {
if (mode != MOLECULE) error->all(FLERR,"Illegal fix deposit command");
if (iarg+nmol+1 > narg) error->all(FLERR,"Illegal fix deposit command");
molfrac[0] = force->numeric(FLERR,arg[iarg+1]);
molfrac[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
for (int i = 1; i < nmol; i++)
molfrac[i] = molfrac[i-1] + force->numeric(FLERR,arg[iarg+i+1]);
molfrac[i] = molfrac[i-1] + utils::numeric(FLERR,arg[iarg+i+1],false,lmp);
if (molfrac[nmol-1] < 1.0-EPSILON || molfrac[nmol-1] > 1.0+EPSILON)
error->all(FLERR,"Illegal fix deposit command");
molfrac[nmol-1] = 1.0;
@ -747,54 +747,54 @@ void FixDeposit::options(int narg, char **arg)
if (iarg+3 > narg) error->all(FLERR,"Illegal fix deposit command");
globalflag = 1;
localflag = 0;
lo = force->numeric(FLERR,arg[iarg+1]);
hi = force->numeric(FLERR,arg[iarg+2]);
lo = utils::numeric(FLERR,arg[iarg+1],false,lmp);
hi = utils::numeric(FLERR,arg[iarg+2],false,lmp);
iarg += 3;
} else if (strcmp(arg[iarg],"local") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix deposit command");
localflag = 1;
globalflag = 0;
lo = force->numeric(FLERR,arg[iarg+1]);
hi = force->numeric(FLERR,arg[iarg+2]);
deltasq = force->numeric(FLERR,arg[iarg+3]) *
force->numeric(FLERR,arg[iarg+3]);
lo = utils::numeric(FLERR,arg[iarg+1],false,lmp);
hi = utils::numeric(FLERR,arg[iarg+2],false,lmp);
deltasq = utils::numeric(FLERR,arg[iarg+3],false,lmp) *
utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"near") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
nearsq = force->numeric(FLERR,arg[iarg+1]) *
force->numeric(FLERR,arg[iarg+1]);
nearsq = utils::numeric(FLERR,arg[iarg+1],false,lmp) *
utils::numeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"attempt") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
maxattempt = force->inumeric(FLERR,arg[iarg+1]);
maxattempt = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"rate") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix deposit command");
rateflag = 1;
rate = force->numeric(FLERR,arg[iarg+1]);
rate = utils::numeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"vx") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal fix deposit command");
vxlo = force->numeric(FLERR,arg[iarg+1]);
vxhi = force->numeric(FLERR,arg[iarg+2]);
vxlo = utils::numeric(FLERR,arg[iarg+1],false,lmp);
vxhi = utils::numeric(FLERR,arg[iarg+2],false,lmp);
iarg += 3;
} else if (strcmp(arg[iarg],"vy") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal fix deposit command");
vylo = force->numeric(FLERR,arg[iarg+1]);
vyhi = force->numeric(FLERR,arg[iarg+2]);
vylo = utils::numeric(FLERR,arg[iarg+1],false,lmp);
vyhi = utils::numeric(FLERR,arg[iarg+2],false,lmp);
iarg += 3;
} else if (strcmp(arg[iarg],"vz") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal fix deposit command");
vzlo = force->numeric(FLERR,arg[iarg+1]);
vzhi = force->numeric(FLERR,arg[iarg+2]);
vzlo = utils::numeric(FLERR,arg[iarg+1],false,lmp);
vzhi = utils::numeric(FLERR,arg[iarg+2],false,lmp);
iarg += 3;
} else if (strcmp(arg[iarg],"orient") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix deposit command");
orientflag = 1;
rx = force->numeric(FLERR,arg[iarg+1]);
ry = force->numeric(FLERR,arg[iarg+2]);
rz = force->numeric(FLERR,arg[iarg+3]);
rx = utils::numeric(FLERR,arg[iarg+1],false,lmp);
ry = utils::numeric(FLERR,arg[iarg+2],false,lmp);
rz = utils::numeric(FLERR,arg[iarg+3],false,lmp);
if (domain->dimension == 2 && (rx != 0.0 || ry != 0.0))
error->all(FLERR,"Illegal fix deposit orient settings");
if (rx == 0.0 && ry == 0.0 && rz == 0.0)
@ -808,17 +808,17 @@ void FixDeposit::options(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"gaussian") == 0) {
if (iarg+5 > narg) error->all(FLERR,"Illegal fix deposit command");
xmid = force->numeric(FLERR,arg[iarg+1]);
ymid = force->numeric(FLERR,arg[iarg+2]);
zmid = force->numeric(FLERR,arg[iarg+3]);
sigma = force->numeric(FLERR,arg[iarg+4]);
xmid = utils::numeric(FLERR,arg[iarg+1],false,lmp);
ymid = utils::numeric(FLERR,arg[iarg+2],false,lmp);
zmid = utils::numeric(FLERR,arg[iarg+3],false,lmp);
sigma = utils::numeric(FLERR,arg[iarg+4],false,lmp);
distflag = DIST_GAUSSIAN;
iarg += 5;
} else if (strcmp(arg[iarg],"target") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix deposit command");
tx = force->numeric(FLERR,arg[iarg+1]);
ty = force->numeric(FLERR,arg[iarg+2]);
tz = force->numeric(FLERR,arg[iarg+3]);
tx = utils::numeric(FLERR,arg[iarg+1],false,lmp);
ty = utils::numeric(FLERR,arg[iarg+2],false,lmp);
tz = utils::numeric(FLERR,arg[iarg+3],false,lmp);
targetflag = 1;
iarg += 4;
} else error->all(FLERR,"Illegal fix deposit command");

6
src/MISC/fix_efield.cpp
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@ -64,7 +64,7 @@ FixEfield::FixEfield(LAMMPS *lmp, int narg, char **arg) :
xstr = new char[n];
strcpy(xstr,&arg[3][2]);
} else {
ex = qe2f * force->numeric(FLERR,arg[3]);
ex = qe2f * utils::numeric(FLERR,arg[3],false,lmp);
xstyle = CONSTANT;
}
@ -73,7 +73,7 @@ FixEfield::FixEfield(LAMMPS *lmp, int narg, char **arg) :
ystr = new char[n];
strcpy(ystr,&arg[4][2]);
} else {
ey = qe2f * force->numeric(FLERR,arg[4]);
ey = qe2f * utils::numeric(FLERR,arg[4],false,lmp);
ystyle = CONSTANT;
}
@ -82,7 +82,7 @@ FixEfield::FixEfield(LAMMPS *lmp, int narg, char **arg) :
zstr = new char[n];
strcpy(zstr,&arg[5][2]);
} else {
ez = qe2f * force->numeric(FLERR,arg[5]);
ez = qe2f * utils::numeric(FLERR,arg[5],false,lmp);
zstyle = CONSTANT;
}

6
src/MISC/fix_evaporate.cpp
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@ -41,13 +41,13 @@ FixEvaporate::FixEvaporate(LAMMPS *lmp, int narg, char **arg) :
global_freq = 1;
extscalar = 0;
nevery = force->inumeric(FLERR,arg[3]);
nflux = force->inumeric(FLERR,arg[4]);
nevery = utils::inumeric(FLERR,arg[3],false,lmp);
nflux = utils::inumeric(FLERR,arg[4],false,lmp);
iregion = domain->find_region(arg[5]);
int n = strlen(arg[5]) + 1;
idregion = new char[n];
strcpy(idregion,arg[5]);
int seed = force->inumeric(FLERR,arg[6]);
int seed = utils::inumeric(FLERR,arg[6],false,lmp);
if (nevery <= 0 || nflux <= 0)
error->all(FLERR,"Illegal fix evaporate command");

12
src/MISC/fix_gld.cpp
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@ -55,16 +55,16 @@ FixGLD::FixGLD(LAMMPS *lmp, int narg, char **arg) :
// 1 = Group ID (e.g., all)
// 2 = gld (name of this fix)
// 3 = t_start (Starting target temperature)
t_start = force->numeric(FLERR,arg[3]);
t_start = utils::numeric(FLERR,arg[3],false,lmp);
// 4 = t_stop (Stopping target temperature)
t_stop = force->numeric(FLERR,arg[4]);
t_stop = utils::numeric(FLERR,arg[4],false,lmp);
// 5 = prony_terms (number of terms in Prony series)
prony_terms = force->inumeric(FLERR,arg[5]);
prony_terms = utils::inumeric(FLERR,arg[5],false,lmp);
// 6 = seed (random seed)
int seed = force->inumeric(FLERR,arg[6]);
int seed = utils::inumeric(FLERR,arg[6],false,lmp);
// 7 = series type
if(strcmp(arg[7],"pprony") == 0) {
@ -99,8 +99,8 @@ FixGLD::FixGLD(LAMMPS *lmp, int narg, char **arg) :
int iarg = narg_min;
int icoeff = 0;
while (iarg < narg && icoeff < prony_terms) {
double pc = force->numeric(FLERR,arg[iarg]);
double ptau = force->numeric(FLERR,arg[iarg+1]);
double pc = utils::numeric(FLERR,arg[iarg],false,lmp);
double ptau = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (pc < 0)
error->all(FLERR,"Fix gld c coefficients must be >= 0");

2
src/MISC/fix_oneway.cpp
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@ -38,7 +38,7 @@ FixOneWay::FixOneWay(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
if (narg < 6) error->all(FLERR,"Illegal fix oneway command");
nevery = force->inumeric(FLERR,arg[3]);
nevery = utils::inumeric(FLERR,arg[3],false,lmp);
if (nevery < 1) error->all(FLERR,"Illegal fix oneway command");
int len = strlen(arg[4]);

12
src/MISC/fix_orient_bcc.cpp
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@ -78,12 +78,12 @@ FixOrientBCC::FixOrientBCC(LAMMPS *lmp, int narg, char **arg) :
respa_level_support = 1;
ilevel_respa = 0;
nstats = force->inumeric(FLERR,arg[3]);
direction_of_motion = force->inumeric(FLERR,arg[4]);
a = force->numeric(FLERR,arg[5]);
Vxi = force->numeric(FLERR,arg[6]);
uxif_low = force->numeric(FLERR,arg[7]);
uxif_high = force->numeric(FLERR,arg[8]);
nstats = utils::inumeric(FLERR,arg[3],false,lmp);
direction_of_motion = utils::inumeric(FLERR,arg[4],false,lmp);
a = utils::numeric(FLERR,arg[5],false,lmp);
Vxi = utils::numeric(FLERR,arg[6],false,lmp);
uxif_low = utils::numeric(FLERR,arg[7],false,lmp);
uxif_high = utils::numeric(FLERR,arg[8],false,lmp);
if (direction_of_motion == 0) {
int n = strlen(arg[9]) + 1;

12
src/MISC/fix_orient_fcc.cpp
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@ -76,12 +76,12 @@ FixOrientFCC::FixOrientFCC(LAMMPS *lmp, int narg, char **arg) :
respa_level_support = 1;
ilevel_respa = 0;
nstats = force->inumeric(FLERR,arg[3]);
direction_of_motion = force->inumeric(FLERR,arg[4]);
a = force->numeric(FLERR,arg[5]);
Vxi = force->numeric(FLERR,arg[6]);
uxif_low = force->numeric(FLERR,arg[7]);
uxif_high = force->numeric(FLERR,arg[8]);
nstats = utils::inumeric(FLERR,arg[3],false,lmp);
direction_of_motion = utils::inumeric(FLERR,arg[4],false,lmp);
a = utils::numeric(FLERR,arg[5],false,lmp);
Vxi = utils::numeric(FLERR,arg[6],false,lmp);
uxif_low = utils::numeric(FLERR,arg[7],false,lmp);
uxif_high = utils::numeric(FLERR,arg[8],false,lmp);
if (direction_of_motion == 0) {
int n = strlen(arg[9]) + 1;

6
src/MISC/fix_thermal_conductivity.cpp
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@ -41,7 +41,7 @@ FixThermalConductivity::FixThermalConductivity(LAMMPS *lmp,
MPI_Comm_rank(world,&me);
nevery = force->inumeric(FLERR,arg[3]);
nevery = utils::inumeric(FLERR,arg[3],false,lmp);
if (nevery <= 0) error->all(FLERR,"Illegal fix thermal/conductivity command");
scalar_flag = 1;
@ -53,7 +53,7 @@ FixThermalConductivity::FixThermalConductivity(LAMMPS *lmp,
else if (strcmp(arg[4],"z") == 0) edim = 2;
else error->all(FLERR,"Illegal fix thermal/conductivity command");
nbin = force->inumeric(FLERR,arg[5]);
nbin = utils::inumeric(FLERR,arg[5],false,lmp);
if (nbin % 2 || nbin <= 2)
error->all(FLERR,"Illegal fix thermal/conductivity command");
@ -66,7 +66,7 @@ FixThermalConductivity::FixThermalConductivity(LAMMPS *lmp,
if (strcmp(arg[iarg],"swap") == 0) {
if (iarg+2 > narg)
error->all(FLERR,"Illegal fix thermal/conductivity command");
nswap = force->inumeric(FLERR,arg[iarg+1]);
nswap = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (nswap <= 0)
error->all(FLERR,
"Fix thermal/conductivity swap value must be positive");

22
src/MISC/fix_ttm.cpp
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@ -58,17 +58,17 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) :
restart_peratom = 1;
restart_global = 1;
seed = force->inumeric(FLERR,arg[3]);
electronic_specific_heat = force->numeric(FLERR,arg[4]);
electronic_density = force->numeric(FLERR,arg[5]);
electronic_thermal_conductivity = force->numeric(FLERR,arg[6]);
gamma_p = force->numeric(FLERR,arg[7]);
gamma_s = force->numeric(FLERR,arg[8]);
v_0 = force->numeric(FLERR,arg[9]);
nxnodes = force->inumeric(FLERR,arg[10]);
nynodes = force->inumeric(FLERR,arg[11]);
nznodes = force->inumeric(FLERR,arg[12]);
nfileevery = force->inumeric(FLERR,arg[14]);
seed = utils::inumeric(FLERR,arg[3],false,lmp);
electronic_specific_heat = utils::numeric(FLERR,arg[4],false,lmp);
electronic_density = utils::numeric(FLERR,arg[5],false,lmp);
electronic_thermal_conductivity = utils::numeric(FLERR,arg[6],false,lmp);
gamma_p = utils::numeric(FLERR,arg[7],false,lmp);
gamma_s = utils::numeric(FLERR,arg[8],false,lmp);
v_0 = utils::numeric(FLERR,arg[9],false,lmp);
nxnodes = utils::inumeric(FLERR,arg[10],false,lmp);
nynodes = utils::inumeric(FLERR,arg[11],false,lmp);
nznodes = utils::inumeric(FLERR,arg[12],false,lmp);
nfileevery = utils::inumeric(FLERR,arg[14],false,lmp);
if (nfileevery) {
if (narg != 16) error->all(FLERR,"Illegal fix ttm command");

8
src/MISC/fix_viscosity.cpp
View File

@ -43,7 +43,7 @@ FixViscosity::FixViscosity(LAMMPS *lmp, int narg, char **arg) :
MPI_Comm_rank(world,&me);
nevery = force->inumeric(FLERR,arg[3]);
nevery = utils::inumeric(FLERR,arg[3],false,lmp);
if (nevery <= 0) error->all(FLERR,"Illegal fix viscosity command");
scalar_flag = 1;
@ -60,7 +60,7 @@ FixViscosity::FixViscosity(LAMMPS *lmp, int narg, char **arg) :
else if (strcmp(arg[5],"z") == 0) pdim = 2;
else error->all(FLERR,"Illegal fix viscosity command");
nbin = force->inumeric(FLERR,arg[6]);
nbin = utils::inumeric(FLERR,arg[6],false,lmp);
if (nbin % 2 || nbin <= 2) error->all(FLERR,"Illegal fix viscosity command");
// optional keywords
@ -72,14 +72,14 @@ FixViscosity::FixViscosity(LAMMPS *lmp, int narg, char **arg) :
while (iarg < narg) {
if (strcmp(arg[iarg],"swap") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix viscosity command");
nswap = force->inumeric(FLERR,arg[iarg+1]);
nswap = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (nswap <= 0)
error->all(FLERR,"Fix viscosity swap value must be positive");
iarg += 2;
} else if (strcmp(arg[iarg],"vtarget") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix viscosity command");
if (strcmp(arg[iarg+1],"INF") == 0) vtarget = BIG;
else vtarget = force->numeric(FLERR,arg[iarg+1]);
else vtarget = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (vtarget <= 0.0)
error->all(FLERR,"Fix viscosity vtarget value must be positive");
iarg += 2;

12
src/MISC/pair_nm_cut.cpp
View File

@ -179,7 +179,7 @@ void PairNMCut::settings(int narg, char **arg)
{
if (narg != 1) error->all(FLERR,"Illegal pair_style command");
cut_global = force->numeric(FLERR,arg[0]);
cut_global = utils::numeric(FLERR,arg[0],false,lmp);
// reset cutoffs that have been explicitly set
@ -205,13 +205,13 @@ void PairNMCut::coeff(int narg, char **arg)
utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);
utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);
double e0_one = force->numeric(FLERR,arg[2]);
double r0_one = force->numeric(FLERR,arg[3]);
double nn_one = force->numeric(FLERR,arg[4]);
double mm_one = force->numeric(FLERR,arg[5]);
double e0_one = utils::numeric(FLERR,arg[2],false,lmp);
double r0_one = utils::numeric(FLERR,arg[3],false,lmp);
double nn_one = utils::numeric(FLERR,arg[4],false,lmp);
double mm_one = utils::numeric(FLERR,arg[5],false,lmp);
double cut_one = cut_global;
if (narg == 7) cut_one = force->numeric(FLERR,arg[6]);
if (narg == 7) cut_one = utils::numeric(FLERR,arg[6],false,lmp);
int count = 0;
for (int i = ilo; i <= ihi; i++) {

16
src/MISC/pair_nm_cut_coul_cut.cpp
View File

@ -203,9 +203,9 @@ void PairNMCutCoulCut::settings(int narg, char **arg)
{
if (narg < 1 || narg > 2) error->all(FLERR,"Illegal pair_style command");
cut_lj_global = force->numeric(FLERR,arg[0]);
cut_lj_global = utils::numeric(FLERR,arg[0],false,lmp);
if (narg == 1) cut_coul_global = cut_lj_global;
else cut_coul_global = force->numeric(FLERR,arg[1]);
else cut_coul_global = utils::numeric(FLERR,arg[1],false,lmp);
// reset cutoffs that have been explicitly set
@ -234,15 +234,15 @@ void PairNMCutCoulCut::coeff(int narg, char **arg)
utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);
utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);
double e0_one = force->numeric(FLERR,arg[2]);
double r0_one = force->numeric(FLERR,arg[3]);
double nn_one = force->numeric(FLERR,arg[4]);
double mm_one = force->numeric(FLERR,arg[5]);
double e0_one = utils::numeric(FLERR,arg[2],false,lmp);
double r0_one = utils::numeric(FLERR,arg[3],false,lmp);
double nn_one = utils::numeric(FLERR,arg[4],false,lmp);
double mm_one = utils::numeric(FLERR,arg[5],false,lmp);
double cut_lj_one = cut_lj_global;
double cut_coul_one = cut_coul_global;
if (narg >= 7) cut_coul_one = cut_lj_one = force->numeric(FLERR,arg[4]);
if (narg == 8) cut_coul_one = force->numeric(FLERR,arg[5]);
if (narg >= 7) cut_coul_one = cut_lj_one = utils::numeric(FLERR,arg[4],false,lmp);
if (narg == 8) cut_coul_one = utils::numeric(FLERR,arg[5],false,lmp);
int count = 0;
for (int i = ilo; i <= ihi; i++) {

14
src/MISC/pair_nm_cut_coul_long.cpp
View File

@ -242,9 +242,9 @@ void PairNMCutCoulLong::settings(int narg, char **arg)
{
if (narg < 1 || narg > 2) error->all(FLERR,"Illegal pair_style command");
cut_lj_global = force->numeric(FLERR,arg[0]);
cut_lj_global = utils::numeric(FLERR,arg[0],false,lmp);
if (narg == 1) cut_coul = cut_lj_global;
else cut_coul = force->numeric(FLERR,arg[1]);
else cut_coul = utils::numeric(FLERR,arg[1],false,lmp);
// reset cutoffs that have been explicitly set
@ -270,13 +270,13 @@ void PairNMCutCoulLong::coeff(int narg, char **arg)
utils::bounds(FLERR,arg[0],1,atom->ntypes,ilo,ihi,error);
utils::bounds(FLERR,arg[1],1,atom->ntypes,jlo,jhi,error);
double e0_one = force->numeric(FLERR,arg[2]);
double r0_one = force->numeric(FLERR,arg[3]);
double nn_one = force->numeric(FLERR,arg[4]);
double mm_one = force->numeric(FLERR,arg[5]);
double e0_one = utils::numeric(FLERR,arg[2],false,lmp);
double r0_one = utils::numeric(FLERR,arg[3],false,lmp);
double nn_one = utils::numeric(FLERR,arg[4],false,lmp);
double mm_one = utils::numeric(FLERR,arg[5],false,lmp);
double cut_lj_one = cut_lj_global;
if (narg == 7) cut_lj_one = force->numeric(FLERR,arg[4]);
if (narg == 7) cut_lj_one = utils::numeric(FLERR,arg[4],false,lmp);
int count = 0;
for (int i = ilo; i <= ihi; i++) {