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Update constant names

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This commit is contained in:
Richard Berger
2020-11-16 11:03:18 -05:00
parent 1ba9dd7435
commit 5ce536f2e9
6 changed files with 7 additions and 7 deletions
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2
src/angle.cpp
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@ -82,7 +82,7 @@ void Angle::init()
eflag_atom = 1 if ENERGY_ATOM bit of eflag set eflag_atom = 1 if ENERGY_ATOM bit of eflag set
eflag_either = 1 if eflag_global or eflag_atom is set eflag_either = 1 if eflag_global or eflag_atom is set
vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set
vflag_atom = 1 if VIRIAL_PERATOM bit of vflag set vflag_atom = 1 if VIRIAL_ATOM bit of vflag set
cvflag_atom = 1 if VIRIAL_CENTROID bit of vflag set cvflag_atom = 1 if VIRIAL_CENTROID bit of vflag set
vflag_either = 1 if any of vflag_global, vflag_atom, cvflag_atom is set vflag_either = 1 if any of vflag_global, vflag_atom, cvflag_atom is set
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */

2
src/bond.cpp
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@ -87,7 +87,7 @@ void Bond::init()
eflag_atom = 1 if ENERGY_ATOM bit of eflag set eflag_atom = 1 if ENERGY_ATOM bit of eflag set
eflag_either = 1 if eflag_global or eflag_atom is set eflag_either = 1 if eflag_global or eflag_atom is set
vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set
vflag_atom = 1 if VIRIAL_PERATOM or VIRIAL_CENTROID bit of vflag set vflag_atom = 1 if VIRIAL_ATOM or VIRIAL_CENTROID bit of vflag set
vflag_either = 1 if vflag_global or vflag_atom is set vflag_either = 1 if vflag_global or vflag_atom is set
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */

2
src/dihedral.cpp
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@ -81,7 +81,7 @@ void Dihedral::init()
eflag_atom = 1 if ENERGY_ATOM bit of eflag set eflag_atom = 1 if ENERGY_ATOM bit of eflag set
eflag_either = 1 if eflag_global or eflag_atom is set eflag_either = 1 if eflag_global or eflag_atom is set
vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set
vflag_atom = 1 if VIRIAL_PERATOM bit of vflag set vflag_atom = 1 if VIRIAL_ATOM bit of vflag set
cvflag_atom = 1 if VIRIAL_CENTROID bit of vflag set cvflag_atom = 1 if VIRIAL_CENTROID bit of vflag set
vflag_either = 1 if any of vflag_global, vflag_atom, cvflag_atom is set vflag_either = 1 if any of vflag_global, vflag_atom, cvflag_atom is set
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */

2
src/improper.cpp
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@ -79,7 +79,7 @@ void Improper::init()
eflag_atom = 1 if ENERGY_ATOM bit of eflag set eflag_atom = 1 if ENERGY_ATOM bit of eflag set
eflag_either = 1 if eflag_global or eflag_atom is set eflag_either = 1 if eflag_global or eflag_atom is set
vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set
vflag_atom = 1 if VIRIAL_PERATOM bit of vflag set vflag_atom = 1 if VIRIAL_ATOM bit of vflag set
cvflag_atom = 1 if VIRIAL_CENTROID bit of vflag set cvflag_atom = 1 if VIRIAL_CENTROID bit of vflag set
vflag_either = 1 if any of vflag_global, vflag_atom, cvflag_atom is set vflag_either = 1 if any of vflag_global, vflag_atom, cvflag_atom is set
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */

4
src/integrate.cpp
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@ -139,7 +139,7 @@ void Integrate::ev_set(bigint ntimestep)
int eflag_atom = 0; int eflag_atom = 0;
for (i = 0; i < nelist_atom; i++) for (i = 0; i < nelist_atom; i++)
if (elist_atom[i]->matchstep(ntimestep)) flag = 1; if (elist_atom[i]->matchstep(ntimestep)) flag = 1;
if (flag) eflag_atom = ENERGY_PERATOM; if (flag) eflag_atom = ENERGY_ATOM;
if (eflag_global) update->eflag_global = ntimestep; if (eflag_global) update->eflag_global = ntimestep;
if (eflag_atom) update->eflag_atom = ntimestep; if (eflag_atom) update->eflag_atom = ntimestep;
@ -155,7 +155,7 @@ void Integrate::ev_set(bigint ntimestep)
int vflag_atom = 0; int vflag_atom = 0;
for (i = 0; i < nvlist_atom; i++) for (i = 0; i < nvlist_atom; i++)
if (vlist_atom[i]->matchstep(ntimestep)) flag = 1; if (vlist_atom[i]->matchstep(ntimestep)) flag = 1;
if (flag) vflag_atom = VIRIAL_PERATOM; if (flag) vflag_atom = VIRIAL_ATOM;
flag = 0; flag = 0;
int cvflag_atom = 0; int cvflag_atom = 0;

2
src/kspace.cpp
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@ -221,7 +221,7 @@ void KSpace::pair_check()
eflag_atom = 1 if ENERGY_ATOM bit of eflag set eflag_atom = 1 if ENERGY_ATOM bit of eflag set
eflag_either = 1 if eflag_global or eflag_atom is set eflag_either = 1 if eflag_global or eflag_atom is set
vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set vflag_global = 1 if VIRIAL_PAIR or VIRIAL_FDOTR bit of vflag set
vflag_atom = 1 if VIRIAL_PERATOM bit of vflag set vflag_atom = 1 if VIRIAL_ATOM bit of vflag set
vflag_either = 1 if vflag_global or vflag_atom is set vflag_either = 1 if vflag_global or vflag_atom is set
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */