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new math constants: DEG2RAD and RAD2DEG

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This commit is contained in:
Axel Kohlmeyer
2022-03-17 19:39:22 -04:00
parent 6e7eedf148
commit 58030009da
14 changed files with 106 additions and 110 deletions
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8
src/fix_restrain.cpp
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@ -33,7 +33,7 @@
using namespace LAMMPS_NS;
using namespace FixConst;
using namespace MathConst;
using MathConst::DEG2RAD;
enum{BOND,LBOUND,ANGLE,DIHEDRAL};
@ -119,8 +119,7 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
ids[nrestrain][2] = utils::tnumeric(FLERR,arg[iarg+3],false,lmp);
kstart[nrestrain] = utils::numeric(FLERR,arg[iarg+4],false,lmp);
kstop[nrestrain] = utils::numeric(FLERR,arg[iarg+5],false,lmp);
target[nrestrain] = utils::numeric(FLERR,arg[iarg+6],false,lmp);
target[nrestrain] *= MY_PI / 180.0;
target[nrestrain] = DEG2RAD * utils::numeric(FLERR,arg[iarg+6],false,lmp);
iarg += 7;
} else if (strcmp(arg[iarg],"dihedral") == 0) {
if (iarg+8 > narg) error->all(FLERR,"Illegal fix restrain command");
@ -132,8 +131,7 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
ids[nrestrain][3] = utils::tnumeric(FLERR,arg[iarg+4],false,lmp);
kstart[nrestrain] = utils::numeric(FLERR,arg[iarg+5],false,lmp);
kstop[nrestrain] = utils::numeric(FLERR,arg[iarg+6],false,lmp);
target[nrestrain] = utils::numeric(FLERR,arg[iarg+7],false,lmp);
target[nrestrain] *= MY_PI / 180.0;
target[nrestrain] = DEG2RAD * utils::numeric(FLERR,arg[iarg+7],false,lmp);
cos_target[nrestrain] = cos(target[nrestrain]);
sin_target[nrestrain] = sin(target[nrestrain]);
iarg += 8;