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some dead code removal and more whitespace cleanup

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This commit is contained in:
Axel Kohlmeyer
2019-03-27 05:38:41 -04:00
parent b6b0d0b30e
commit 8ba1d76055
5 changed files with 43 additions and 54 deletions
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2
src/RIGID/fix_rigid_small.cpp
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@ -1629,7 +1629,7 @@ int FixRigidSmall::rendezvous_body(int n, char *inbuf,
int &rflag, int *&proclist, char *&outbuf, int &rflag, int *&proclist, char *&outbuf,
void *ptr) void *ptr)
{ {
int i,j,m; int i,m;
double delx,dely,delz,rsq; double delx,dely,delz,rsq;
int *iclose; int *iclose;
tagint *idclose; tagint *idclose;

82
src/RIGID/fix_shake.cpp
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@ -694,10 +694,9 @@ int FixShake::dof(int igroup)
void FixShake::find_clusters() void FixShake::find_clusters()
{ {
int i,j,m,n,imol,iatom; int i,j,m,n,imol,iatom;
int flag,flag_all,nbuf,size; int flag,flag_all;
tagint tagprev; tagint tagprev;
double massone; double massone;
tagint *buf;
if (me == 0 && screen) { if (me == 0 && screen) {
if (!rattle) fprintf(screen,"Finding SHAKE clusters ...\n"); if (!rattle) fprintf(screen,"Finding SHAKE clusters ...\n");
@ -794,7 +793,7 @@ void FixShake::find_clusters()
// ----------------------------------------------------- // -----------------------------------------------------
partner_info(npartner,partner_tag,partner_mask,partner_type, partner_info(npartner,partner_tag,partner_mask,partner_type,
partner_massflag,partner_bondtype); partner_massflag,partner_bondtype);
// error check for unfilled partner info // error check for unfilled partner info
// if partner_type not set, is an error // if partner_type not set, is an error
@ -1083,8 +1082,8 @@ void FixShake::atom_owners()
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void FixShake::partner_info(int *npartner, tagint **partner_tag, void FixShake::partner_info(int *npartner, tagint **partner_tag,
int **partner_mask, int **partner_type, int **partner_mask, int **partner_type,
int **partner_massflag, int **partner_bondtype) int **partner_massflag, int **partner_bondtype)
{ {
int i,j,m,n; int i,j,m,n;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
@ -1144,29 +1143,29 @@ void FixShake::partner_info(int *npartner, tagint **partner_tag,
n = bondtype_findset(m,tag[i],partner_tag[i][j],0); n = bondtype_findset(m,tag[i],partner_tag[i][j],0);
if (n) partner_bondtype[i][j] = n; if (n) partner_bondtype[i][j] = n;
} }
} else { } else {
proclist[nsend] = partner_tag[i][j] % nprocs; proclist[nsend] = partner_tag[i][j] % nprocs;
inbuf[nsend].atomID = partner_tag[i][j]; inbuf[nsend].atomID = partner_tag[i][j];
inbuf[nsend].partnerID = tag[i]; inbuf[nsend].partnerID = tag[i];
inbuf[nsend].mask = mask[i]; inbuf[nsend].mask = mask[i];
inbuf[nsend].type = type[i]; inbuf[nsend].type = type[i];
if (nmass) { if (nmass) {
if (rmass) massone = rmass[i]; if (rmass) massone = rmass[i];
else massone = mass[type[i]]; else massone = mass[type[i]];
inbuf[nsend].massflag = masscheck(massone); inbuf[nsend].massflag = masscheck(massone);
} else inbuf[nsend].massflag = 0; } else inbuf[nsend].massflag = 0;
// my atom may own bond, in which case set partner_bondtype // my atom may own bond, in which case set partner_bondtype
// else receiver of this datum will own the bond and return the value // else receiver of this datum will own the bond and return the value
n = bondtype_findset(i,tag[i],partner_tag[i][j],0); n = bondtype_findset(i,tag[i],partner_tag[i][j],0);
if (n) { if (n) {
partner_bondtype[i][j] = n; partner_bondtype[i][j] = n;
inbuf[nsend].bondtype = n; inbuf[nsend].bondtype = n;
} else inbuf[nsend].bondtype = 0; } else inbuf[nsend].bondtype = 0;
nsend++; nsend++;
} }
} }
} }
@ -1213,9 +1212,9 @@ void FixShake::partner_info(int *npartner, tagint **partner_tag,
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void FixShake::nshake_info(int *npartner, tagint **partner_tag, void FixShake::nshake_info(int *npartner, tagint **partner_tag,
int **partner_nshake) int **partner_nshake)
{ {
int i,j,m,n; int i,j,m;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
// nsend = # of my datums to send // nsend = # of my datums to send
@ -1251,11 +1250,11 @@ void FixShake::nshake_info(int *npartner, tagint **partner_tag,
if (m >= 0 && m < nlocal) { if (m >= 0 && m < nlocal) {
partner_nshake[i][j] = nshake[m]; partner_nshake[i][j] = nshake[m];
} else { } else {
proclist[nsend] = partner_tag[i][j] % nprocs; proclist[nsend] = partner_tag[i][j] % nprocs;
inbuf[nsend].atomID = partner_tag[i][j]; inbuf[nsend].atomID = partner_tag[i][j];
inbuf[nsend].partnerID = tag[i]; inbuf[nsend].partnerID = tag[i];
inbuf[nsend].nshake = nshake[i]; inbuf[nsend].nshake = nshake[i];
nsend++; nsend++;
} }
} }
} }
@ -1292,9 +1291,9 @@ void FixShake::nshake_info(int *npartner, tagint **partner_tag,
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void FixShake::shake_info(int *npartner, tagint **partner_tag, void FixShake::shake_info(int *npartner, tagint **partner_tag,
int **partner_shake) int **partner_shake)
{ {
int i,j,m,n; int i,j,m;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
// nsend = # of my datums to send // nsend = # of my datums to send
@ -1338,8 +1337,8 @@ void FixShake::shake_info(int *npartner, tagint **partner_tag,
shake_type[m][2] = shake_type[i][2]; shake_type[m][2] = shake_type[i][2];
} else { } else {
proclist[nsend] = partner_tag[i][j] % nprocs; proclist[nsend] = partner_tag[i][j] % nprocs;
inbuf[nsend].atomID = partner_tag[i][j]; inbuf[nsend].atomID = partner_tag[i][j];
inbuf[nsend].shake_flag = shake_flag[i]; inbuf[nsend].shake_flag = shake_flag[i];
inbuf[nsend].shake_atom[0] = shake_atom[i][0]; inbuf[nsend].shake_atom[0] = shake_atom[i][0];
inbuf[nsend].shake_atom[1] = shake_atom[i][1]; inbuf[nsend].shake_atom[1] = shake_atom[i][1];
@ -1348,7 +1347,7 @@ void FixShake::shake_info(int *npartner, tagint **partner_tag,
inbuf[nsend].shake_type[0] = shake_type[i][0]; inbuf[nsend].shake_type[0] = shake_type[i][0];
inbuf[nsend].shake_type[1] = shake_type[i][1]; inbuf[nsend].shake_type[1] = shake_type[i][1];
inbuf[nsend].shake_type[2] = shake_type[i][2]; inbuf[nsend].shake_type[2] = shake_type[i][2];
nsend++; nsend++;
} }
} }
} }
@ -1391,8 +1390,8 @@ void FixShake::shake_info(int *npartner, tagint **partner_tag,
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
int FixShake::rendezvous_ids(int n, char *inbuf, int FixShake::rendezvous_ids(int n, char *inbuf,
int &flag, int *&proclist, char *&outbuf, int &flag, int *&proclist, char *&outbuf,
void *ptr) void *ptr)
{ {
FixShake *fsptr = (FixShake *) ptr; FixShake *fsptr = (FixShake *) ptr;
Memory *memory = fsptr->memory; Memory *memory = fsptr->memory;
@ -1429,8 +1428,8 @@ int FixShake::rendezvous_ids(int n, char *inbuf,
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
int FixShake::rendezvous_partners_info(int n, char *inbuf, int FixShake::rendezvous_partners_info(int n, char *inbuf,
int &flag, int *&proclist, char *&outbuf, int &flag, int *&proclist, char *&outbuf,
void *ptr) void *ptr)
{ {
int i,m; int i,m;
@ -1458,9 +1457,6 @@ int FixShake::rendezvous_partners_info(int n, char *inbuf,
int *procowner = fsptr->procowner; int *procowner = fsptr->procowner;
memory->create(proclist,n,"shake:proclist"); memory->create(proclist,n,"shake:proclist");
double massone;
int nmass = fsptr->nmass;
for (i = 0; i < n; i++) { for (i = 0; i < n; i++) {
m = atom->map(in[i].atomID); m = atom->map(in[i].atomID);
proclist[i] = procowner[m]; proclist[i] = procowner[m];
@ -1487,10 +1483,10 @@ int FixShake::rendezvous_partners_info(int n, char *inbuf,
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
int FixShake::rendezvous_nshake(int n, char *inbuf, int FixShake::rendezvous_nshake(int n, char *inbuf,
int &flag, int *&proclist, char *&outbuf, int &flag, int *&proclist, char *&outbuf,
void *ptr) void *ptr)
{ {
int i,j,m; int i,m;
FixShake *fsptr = (FixShake *) ptr; FixShake *fsptr = (FixShake *) ptr;
Atom *atom = fsptr->atom; Atom *atom = fsptr->atom;
@ -1544,7 +1540,7 @@ int FixShake::rendezvous_shake(int n, char *inbuf,
int &flag, int *&proclist, char *&outbuf, int &flag, int *&proclist, char *&outbuf,
void *ptr) void *ptr)
{ {
int i,j,m; int i,m;
FixShake *fsptr = (FixShake *) ptr; FixShake *fsptr = (FixShake *) ptr;
Atom *atom = fsptr->atom; Atom *atom = fsptr->atom;

8
src/comm.cpp
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@ -1121,9 +1121,7 @@ void Comm::rendezvous_stats(int n, int nout, int nrvous, int nrvous_out,
size_out_all/outsize,1.0*size_out_all/nprocs/outsize, size_out_all/outsize,1.0*size_out_all/nprocs/outsize,
size_out_max/outsize,size_out_min/outsize); size_out_max/outsize,size_out_min/outsize);
else else
fprintf(screen," output datum count: " fprintf(screen," output datum count: %d %g %d %d\n",0,0.0,0,0);
BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
0,0.0,0,0);
fprintf(screen," output data (MB): %g %g %g %g\n", fprintf(screen," output data (MB): %g %g %g %g\n",
1.0*size_out_all/mbytes,1.0*size_out_all/nprocs/mbytes, 1.0*size_out_all/mbytes,1.0*size_out_all/nprocs/mbytes,
1.0*size_out_max/mbytes,1.0*size_out_min/mbytes); 1.0*size_out_max/mbytes,1.0*size_out_min/mbytes);
@ -1140,9 +1138,7 @@ void Comm::rendezvous_stats(int n, int nout, int nrvous, int nrvous_out,
size_outrvous_all/outsize,1.0*size_outrvous_all/nprocs/outsize, size_outrvous_all/outsize,1.0*size_outrvous_all/nprocs/outsize,
size_outrvous_max/outsize,size_outrvous_min/outsize); size_outrvous_max/outsize,size_outrvous_min/outsize);
else else
fprintf(screen," output rvous datum count: " fprintf(screen," output rvous datum count: %d %g %d %d\n",0,0.0,0,0);
BIGINT_FORMAT " %g " BIGINT_FORMAT " " BIGINT_FORMAT "\n",
0,0.0,0,0);
fprintf(screen," output rvous data (MB): %g %g %g %g\n", fprintf(screen," output rvous data (MB): %g %g %g %g\n",
1.0*size_outrvous_all/mbytes,1.0*size_outrvous_all/nprocs/mbytes, 1.0*size_outrvous_all/mbytes,1.0*size_outrvous_all/nprocs/mbytes,
1.0*size_outrvous_max/mbytes,1.0*size_outrvous_min/mbytes); 1.0*size_outrvous_max/mbytes,1.0*size_outrvous_min/mbytes);

3
src/hashlittle.cpp
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@ -155,7 +155,6 @@ uint32_t hashlittle( const void *key, size_t length, uint32_t initval)
u.ptr = key; u.ptr = key;
if (HASH_LITTLE_ENDIAN && ((u.i & 0x3) == 0)) { if (HASH_LITTLE_ENDIAN && ((u.i & 0x3) == 0)) {
const uint32_t *k = (const uint32_t *)key; /* read 32-bit chunks */ const uint32_t *k = (const uint32_t *)key; /* read 32-bit chunks */
const uint8_t *k8;
/*------ all but last block: aligned reads and affect 32 bits of (a,b,c) */ /*------ all but last block: aligned reads and affect 32 bits of (a,b,c) */
while (length > 12) while (length > 12)
@ -199,7 +198,7 @@ uint32_t hashlittle( const void *key, size_t length, uint32_t initval)
#else /* make valgrind happy */ #else /* make valgrind happy */
k8 = (const uint8_t *)k; const uint8_t *k8 = (const uint8_t *)k;
switch(length) switch(length)
{ {
case 12: c+=k[2]; b+=k[1]; a+=k[0]; break; case 12: c+=k[2]; b+=k[1]; a+=k[0]; break;

2
src/special.cpp
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@ -334,7 +334,6 @@ void Special::onethree_build()
{ {
int i,j,k,m,proc; int i,j,k,m,proc;
tagint *tag = atom->tag;
int **nspecial = atom->nspecial; int **nspecial = atom->nspecial;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
@ -440,7 +439,6 @@ void Special::onefour_build()
{ {
int i,j,k,m,proc; int i,j,k,m,proc;
tagint *tag = atom->tag;
int **nspecial = atom->nspecial; int **nspecial = atom->nspecial;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;