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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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82
src/USER-MISC/fix_npt_cauchy.cpp
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@ -134,10 +134,10 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg],"temp") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
tstat_flag = 1;
t_start = force->numeric(FLERR,arg[iarg+1]);
t_start = utils::numeric(FLERR,arg[iarg+1],false,lmp);
t_target = t_start;
t_stop = force->numeric(FLERR,arg[iarg+2]);
t_period = force->numeric(FLERR,arg[iarg+3]);
t_stop = utils::numeric(FLERR,arg[iarg+2],false,lmp);
t_period = utils::numeric(FLERR,arg[iarg+3],false,lmp);
if (t_start <= 0.0 || t_stop <= 0.0)
error->all(FLERR,
"Target temperature for fix npt/cauchy cannot be 0.0");
@ -146,10 +146,10 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"iso") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
pcouple = XYZ;
p_start[0] = p_start[1] = p_start[2] = force->numeric(FLERR,arg[iarg+1]);
p_stop[0] = p_stop[1] = p_stop[2] = force->numeric(FLERR,arg[iarg+2]);
p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[0] = p_stop[1] = p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[0] = p_period[1] = p_period[2] =
force->numeric(FLERR,arg[iarg+3]);
utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[0] = p_flag[1] = p_flag[2] = 1;
if (dimension == 2) {
p_start[2] = p_stop[2] = p_period[2] = 0.0;
@ -159,10 +159,10 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"aniso") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
pcouple = NONE;
p_start[0] = p_start[1] = p_start[2] = force->numeric(FLERR,arg[iarg+1]);
p_stop[0] = p_stop[1] = p_stop[2] = force->numeric(FLERR,arg[iarg+2]);
p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[0] = p_stop[1] = p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[0] = p_period[1] = p_period[2] =
force->numeric(FLERR,arg[iarg+3]);
utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[0] = p_flag[1] = p_flag[2] = 1;
if (dimension == 2) {
p_start[2] = p_stop[2] = p_period[2] = 0.0;
@ -173,15 +173,15 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
pcouple = NONE;
scalexy = scalexz = scaleyz = 0;
p_start[0] = p_start[1] = p_start[2] = force->numeric(FLERR,arg[iarg+1]);
p_stop[0] = p_stop[1] = p_stop[2] = force->numeric(FLERR,arg[iarg+2]);
p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[0] = p_stop[1] = p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[0] = p_period[1] = p_period[2] =
force->numeric(FLERR,arg[iarg+3]);
utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[0] = p_flag[1] = p_flag[2] = 1;
p_start[3] = p_start[4] = p_start[5] = 0.0;
p_stop[3] = p_stop[4] = p_stop[5] = 0.0;
p_period[3] = p_period[4] = p_period[5] =
force->numeric(FLERR,arg[iarg+3]);
utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[3] = p_flag[4] = p_flag[5] = 1;
if (dimension == 2) {
p_start[2] = p_stop[2] = p_period[2] = 0.0;
@ -194,25 +194,25 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
iarg += 4;
} else if (strcmp(arg[iarg],"x") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
p_start[0] = force->numeric(FLERR,arg[iarg+1]);
p_stop[0] = force->numeric(FLERR,arg[iarg+2]);
p_period[0] = force->numeric(FLERR,arg[iarg+3]);
p_start[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[0] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[0] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[0] = 1;
deviatoric_flag = 1;
iarg += 4;
} else if (strcmp(arg[iarg],"y") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
p_start[1] = force->numeric(FLERR,arg[iarg+1]);
p_stop[1] = force->numeric(FLERR,arg[iarg+2]);
p_period[1] = force->numeric(FLERR,arg[iarg+3]);
p_start[1] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[1] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[1] = 1;
deviatoric_flag = 1;
iarg += 4;
} else if (strcmp(arg[iarg],"z") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
p_start[2] = force->numeric(FLERR,arg[iarg+1]);
p_stop[2] = force->numeric(FLERR,arg[iarg+2]);
p_period[2] = force->numeric(FLERR,arg[iarg+3]);
p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[2] = 1;
deviatoric_flag = 1;
iarg += 4;
@ -221,9 +221,9 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"yz") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
p_start[3] = force->numeric(FLERR,arg[iarg+1]);
p_stop[3] = force->numeric(FLERR,arg[iarg+2]);
p_period[3] = force->numeric(FLERR,arg[iarg+3]);
p_start[3] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[3] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[3] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[3] = 1;
deviatoric_flag = 1;
scaleyz = 0;
@ -232,9 +232,9 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Invalid fix npt/cauchy command for a 2d simulation");
} else if (strcmp(arg[iarg],"xz") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
p_start[4] = force->numeric(FLERR,arg[iarg+1]);
p_stop[4] = force->numeric(FLERR,arg[iarg+2]);
p_period[4] = force->numeric(FLERR,arg[iarg+3]);
p_start[4] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[4] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[4] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[4] = 1;
deviatoric_flag = 1;
scalexz = 0;
@ -243,9 +243,9 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Invalid fix npt/cauchy command for a 2d simulation");
} else if (strcmp(arg[iarg],"xy") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
p_start[5] = force->numeric(FLERR,arg[iarg+1]);
p_stop[5] = force->numeric(FLERR,arg[iarg+2]);
p_period[5] = force->numeric(FLERR,arg[iarg+3]);
p_start[5] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
p_stop[5] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
p_period[5] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
p_flag[5] = 1;
deviatoric_flag = 1;
scalexy = 0;
@ -263,7 +263,7 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"drag") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
drag = force->numeric(FLERR,arg[iarg+1]);
drag = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (drag < 0.0) error->all(FLERR,"Illegal fix npt/cauchy command");
iarg += 2;
} else if (strcmp(arg[iarg],"dilate") == 0) {
@ -283,14 +283,14 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"tchain") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
mtchain = force->inumeric(FLERR,arg[iarg+1]);
mtchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
// used by FixNVTSllod to preserve non-default value
mtchain_default_flag = 0;
if (mtchain < 1) error->all(FLERR,"Illegal fix npt/cauchy command");
iarg += 2;
} else if (strcmp(arg[iarg],"pchain") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
mpchain = force->inumeric(FLERR,arg[iarg+1]);
mpchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (mpchain < 0) error->all(FLERR,"Illegal fix npt/cauchy command");
iarg += 2;
} else if (strcmp(arg[iarg],"mtk") == 0) {
@ -301,17 +301,17 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
iarg += 2;
} else if (strcmp(arg[iarg],"tloop") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
nc_tchain = force->inumeric(FLERR,arg[iarg+1]);
nc_tchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (nc_tchain < 0) error->all(FLERR,"Illegal fix npt/cauchy command");
iarg += 2;
} else if (strcmp(arg[iarg],"ploop") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
nc_pchain = force->inumeric(FLERR,arg[iarg+1]);
nc_pchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (nc_pchain < 0) error->all(FLERR,"Illegal fix npt/cauchy command");
iarg += 2;
} else if (strcmp(arg[iarg],"nreset") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
nreset_h0 = force->inumeric(FLERR,arg[iarg+1]);
nreset_h0 = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (nreset_h0 < 0) error->all(FLERR,"Illegal fix npt/cauchy command");
iarg += 2;
} else if (strcmp(arg[iarg],"scalexy") == 0) {
@ -347,7 +347,7 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
} else error->all(FLERR,"Illegal fix npt/cauchy command");
iarg += 2;
} else if (strcmp(arg[iarg],"alpha") == 0) {
alpha = force->numeric(FLERR,arg[iarg+1]);
alpha = utils::numeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"continue") == 0) {
if (strcmp(arg[iarg+1],"yes") != 0 && strcmp(arg[iarg+1],"no") != 0)
@ -357,9 +357,9 @@ FixNPTCauchy::FixNPTCauchy(LAMMPS *lmp, int narg, char **arg) :
iarg += 2;
} else if (strcmp(arg[iarg],"fixedpoint") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix npt/cauchy command");
fixedpoint[0] = force->numeric(FLERR,arg[iarg+1]);
fixedpoint[1] = force->numeric(FLERR,arg[iarg+2]);
fixedpoint[2] = force->numeric(FLERR,arg[iarg+3]);
fixedpoint[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
fixedpoint[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
fixedpoint[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
// disc keyword is also parsed in fix/nh/sphere