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remove more duplicate semicolons

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This commit is contained in:
Axel Kohlmeyer
2023-06-25 06:02:17 -04:00
parent 92c118b29f
commit d1980031ef
26 changed files with 36 additions and 36 deletions
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2
src/BODY/pair_body_rounded_polyhedron.cpp
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@ -1910,7 +1910,7 @@ void PairBodyRoundedPolyhedron::inside_polygon(int ibody, int face_index,
iffirst = facfirst[ibody];
rradi = rounded_radius[ibody];
double rradsq = rradi*rradi;
anglesum1 = anglesum2 = 0;;
anglesum1 = anglesum2 = 0;
for (i = 0; i < MAX_FACE_SIZE; i++) {
npi1 = static_cast<int>(face[iffirst+face_index][i]);
if (npi1 < 0) break;

2
src/CG-DNA/bond_oxdna_fene.cpp
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@ -146,7 +146,7 @@ void BondOxdnaFene::ev_tally_xyz(int i, int j, int nlocal, int newton_bond, doub
void BondOxdnaFene::compute(int eflag, int vflag)
{
int a, b, in, type;
double delf[3], delta[3], deltb[3]; // force, torque increment;;
double delf[3], delta[3], deltb[3]; // force, torque increment
double delr[3], ebond, fbond;
double rsq, Deltasq, rlogarg;
double r, rr0, rr0sq;

2
src/CG-DNA/pair_oxdna2_coaxstk.cpp
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@ -612,7 +612,7 @@ void PairOxdna2Coaxstk::coeff(int narg, char **arg)
(0.5 * (cut_cxst_lo_one - cut_cxst_0_one) * (cut_cxst_lo_one - cut_cxst_0_one) -
k_cxst_one * 0.5 * (cut_cxst_0_one -cut_cxst_c_one) * (cut_cxst_0_one - cut_cxst_c_one)/k_cxst_one);
cut_cxst_lc_one = cut_cxst_lo_one - 0.5 * (cut_cxst_lo_one - cut_cxst_0_one)/b_cxst_lo_one;;
cut_cxst_lc_one = cut_cxst_lo_one - 0.5 * (cut_cxst_lo_one - cut_cxst_0_one)/b_cxst_lo_one;
b_cxst_hi_one = 0.25 * (cut_cxst_hi_one - cut_cxst_0_one) * (cut_cxst_hi_one - cut_cxst_0_one)/
(0.5 * (cut_cxst_hi_one - cut_cxst_0_one) * (cut_cxst_hi_one - cut_cxst_0_one) -

2
src/CG-DNA/pair_oxdna2_dh.cpp
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@ -79,7 +79,7 @@ void PairOxdna2Dh::compute_interaction_sites(double e1[3],
void PairOxdna2Dh::compute(int eflag, int vflag)
{
double delf[3],delta[3],deltb[3]; // force, torque increment;;
double delf[3],delta[3],deltb[3]; // force, torque increment
double rtmp_s[3],delr[3];
double evdwl,fpair,factor_lj;
double r,rsq,rinv;

2
src/CG-DNA/pair_oxdna_coaxstk.cpp
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@ -749,7 +749,7 @@ void PairOxdnaCoaxstk::coeff(int narg, char **arg)
(0.5 * (cut_cxst_lo_one - cut_cxst_0_one) * (cut_cxst_lo_one - cut_cxst_0_one) -
k_cxst_one * 0.5 * (cut_cxst_0_one -cut_cxst_c_one) * (cut_cxst_0_one - cut_cxst_c_one)/k_cxst_one);
cut_cxst_lc_one = cut_cxst_lo_one - 0.5 * (cut_cxst_lo_one - cut_cxst_0_one)/b_cxst_lo_one;;
cut_cxst_lc_one = cut_cxst_lo_one - 0.5 * (cut_cxst_lo_one - cut_cxst_0_one)/b_cxst_lo_one;
b_cxst_hi_one = 0.25 * (cut_cxst_hi_one - cut_cxst_0_one) * (cut_cxst_hi_one - cut_cxst_0_one)/
(0.5 * (cut_cxst_hi_one - cut_cxst_0_one) * (cut_cxst_hi_one - cut_cxst_0_one) -

2
src/CG-DNA/pair_oxdna_xstk.cpp
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@ -696,7 +696,7 @@ void PairOxdnaXstk::coeff(int narg, char **arg)
(0.5 * (cut_xst_lo_one - cut_xst_0_one) * (cut_xst_lo_one - cut_xst_0_one) -
k_xst_one * 0.5 * (cut_xst_0_one -cut_xst_c_one) * (cut_xst_0_one - cut_xst_c_one)/k_xst_one);
cut_xst_lc_one = cut_xst_lo_one - 0.5 * (cut_xst_lo_one - cut_xst_0_one)/b_xst_lo_one;;
cut_xst_lc_one = cut_xst_lo_one - 0.5 * (cut_xst_lo_one - cut_xst_0_one)/b_xst_lo_one;
b_xst_hi_one = 0.25 * (cut_xst_hi_one - cut_xst_0_one) * (cut_xst_hi_one - cut_xst_0_one)/
(0.5 * (cut_xst_hi_one - cut_xst_0_one) * (cut_xst_hi_one - cut_xst_0_one) -

2
src/CG-DNA/pair_oxrna2_xstk.cpp
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@ -639,7 +639,7 @@ void PairOxrna2Xstk::coeff(int narg, char **arg)
(0.5 * (cut_xst_lo_one - cut_xst_0_one) * (cut_xst_lo_one - cut_xst_0_one) -
k_xst_one * 0.5 * (cut_xst_0_one -cut_xst_c_one) * (cut_xst_0_one - cut_xst_c_one)/k_xst_one);
cut_xst_lc_one = cut_xst_lo_one - 0.5 * (cut_xst_lo_one - cut_xst_0_one)/b_xst_lo_one;;
cut_xst_lc_one = cut_xst_lo_one - 0.5 * (cut_xst_lo_one - cut_xst_0_one)/b_xst_lo_one;
b_xst_hi_one = 0.25 * (cut_xst_hi_one - cut_xst_0_one) * (cut_xst_hi_one - cut_xst_0_one)/
(0.5 * (cut_xst_hi_one - cut_xst_0_one) * (cut_xst_hi_one - cut_xst_0_one) -

2
src/EXTRA-COMPUTE/compute_adf.cpp
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@ -288,7 +288,7 @@ void ComputeADF::init()
rcutinnerk[0] = 0.0;
rcutouterj[0] = force->pair->cutforce;
rcutouterk[0] = force->pair->cutforce;
maxouter = force->pair->cutforce;;
maxouter = force->pair->cutforce;
} else {
for (int m = 0; m < ntriples; m++) {
maxouter = MAX(rcutouterj[m],maxouter);

2
src/EXTRA-DUMP/dump_xtc.cpp
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@ -1046,7 +1046,7 @@ int xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision)
sizesmall[0] = sizesmall[1] = sizesmall[2] = magicints[smallidx];
}
}
if (buf[1] != 0) buf[0]++;;
if (buf[1] != 0) buf[0]++;
xdr_int(xdrs, &(buf[0])); /* buf[0] holds the length in bytes */
return errval * (xdr_opaque(xdrs, (caddr_t)&(buf[3]), (u_int)buf[0]));
} else {

2
src/EXTRA-FIX/fix_wall_ees.cpp
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@ -116,7 +116,7 @@ void FixWallEES::wall_particle(int m, int which, double coord)
nhat[(dim+2)%3] = 0 ;
double* shape = bonus[ellipsoid[i]].shape;;
double* shape = bonus[ellipsoid[i]].shape;
MathExtra::quat_to_mat(bonus[ellipsoid[i]].quat,A);
MathExtra::transpose_matvec(A,nhat,tempvec);
for (int k = 0; k<3; k++) {

2
src/INTEL/npair_full_bin_intel.cpp
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@ -62,7 +62,7 @@ fbi(NeighList *list, IntelBuffers<flt_t,acc_t> *buffers) {
list->inum = nlocal;
list->gnum = 0;
int host_start = _fix->host_start_neighbor();;
int host_start = _fix->host_start_neighbor();
const int off_end = _fix->offload_end_neighbor();
#ifdef _LMP_INTEL_OFFLOAD

2
src/INTEL/pppm_disp_intel.cpp
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@ -1478,7 +1478,7 @@ void PPPMDispIntel::fieldforce_c_ik(IntelBuffers<flt_t,acc_t> * /*buffers*/)
int nxsum = nx + nlower;
int nysum = ny + nlower;
int nzsum = nz + nlower;;
int nzsum = nz + nlower;
FFT_SCALAR dx = nx+fshiftone - (x[i][0]-lo0)*xi;
FFT_SCALAR dy = ny+fshiftone - (x[i][1]-lo1)*yi;

12
src/KOKKOS/atom_vec_dpd_kokkos.cpp
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@ -116,22 +116,22 @@ void AtomVecDPDKokkos::grow_pointers()
d_dpdTheta = atomKK->k_dpdTheta.d_view;
h_dpdTheta = atomKK->k_dpdTheta.h_view;
uCond = atomKK->uCond;
d_uCond = atomKK->k_uCond.d_view;;
d_uCond = atomKK->k_uCond.d_view;
h_uCond = atomKK->k_uCond.h_view;
uMech = atomKK->uMech;
d_uMech = atomKK->k_uMech.d_view;;
d_uMech = atomKK->k_uMech.d_view;
h_uMech = atomKK->k_uMech.h_view;
uChem = atomKK->uChem;
d_uChem = atomKK->k_uChem.d_view;;
d_uChem = atomKK->k_uChem.d_view;
h_uChem = atomKK->k_uChem.h_view;
uCG = atomKK->uCG;
d_uCG = atomKK->k_uCG.d_view;;
d_uCG = atomKK->k_uCG.d_view;
h_uCG = atomKK->k_uCG.h_view;
uCGnew = atomKK->uCGnew;
d_uCGnew = atomKK->k_uCGnew.d_view;;
d_uCGnew = atomKK->k_uCGnew.d_view;
h_uCGnew = atomKK->k_uCGnew.h_view;
duChem = atomKK->duChem;
d_duChem = atomKK->k_duChem.d_view;;
d_duChem = atomKK->k_duChem.d_view;
h_duChem = atomKK->k_duChem.h_view;
}

6
src/KOKKOS/dihedral_harmonic_kokkos.cpp
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@ -265,9 +265,9 @@ void DihedralHarmonicKokkos<DeviceType>::operator()(TagDihedralHarmonicCompute<N
const F_FLOAT df = -d_k[type] * df1;
const F_FLOAT sx2 = df*dtgx;;
const F_FLOAT sy2 = df*dtgy;;
const F_FLOAT sz2 = df*dtgz;;
const F_FLOAT sx2 = df*dtgx;
const F_FLOAT sy2 = df*dtgy;
const F_FLOAT sz2 = df*dtgz;
F_FLOAT f1[3],f2[3],f3[3],f4[3];
f1[0] = df*dtfx;

2
src/KOKKOS/fix_wall_gran_old.cpp
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@ -1470,7 +1470,7 @@ void FixWallGranOld::granular(double rsq, double dx, double dy, double dz,
if (twist_model != TWIST_NONE) {
magtwist = relrot1*nx + relrot2*ny + relrot3*nz; //Omega_T (eq 29 of Marshall)
if (twist_model == TWIST_MARSHALL) {
k_twist = 0.5*k_tangential*a*a;; // eq 32 of Marshall paper
k_twist = 0.5*k_tangential*a*a; // eq 32 of Marshall paper
damp_twist = 0.5*damp_tangential*a*a;
mu_twist = TWOTHIRDS*a*tangential_coeffs[2];
}

2
src/KSPACE/ewald.cpp
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@ -857,7 +857,7 @@ void Ewald::coeffs()
vg[kcount][3] = -vterm*unitk[0]*k*unitk[1]*l;
vg[kcount][4] = 0.0;
vg[kcount][5] = 0.0;
kcount++;;
kcount++;
}
}
}

6
src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
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@ -230,7 +230,7 @@ void PairLJCharmmfswCoulLong::compute(int eflag, int vflag)
evdwl12 = lj3[itype][jtype]*cut_lj6*denom_lj12 *
(r6inv - cut_lj6inv)*(r6inv - cut_lj6inv);
evdwl6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 *
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);;
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);
evdwl = evdwl12 + evdwl6;
} else {
evdwl12 = r6inv*lj3[itype][jtype]*r6inv -
@ -588,7 +588,7 @@ void PairLJCharmmfswCoulLong::compute_outer(int eflag, int vflag)
evdwl12 = lj3[itype][jtype]*cut_lj6*denom_lj12 *
(r6inv - cut_lj6inv)*(r6inv - cut_lj6inv);
evdwl6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 *
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);;
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);
evdwl = evdwl12 + evdwl6;
} else {
evdwl12 = r6inv*lj3[itype][jtype]*r6inv -
@ -1015,7 +1015,7 @@ double PairLJCharmmfswCoulLong::single(int i, int j, int itype, int jtype,
philj12 = lj3[itype][jtype]*cut_lj6*denom_lj12 *
(r6inv - cut_lj6inv)*(r6inv - cut_lj6inv);
philj6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 *
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);;
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);
philj = philj12 + philj6;
} else {
philj12 = r6inv*lj3[itype][jtype]*r6inv -

2
src/KSPACE/pppm.cpp
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@ -3004,7 +3004,7 @@ double PPPM::memory_usage()
if (group_allocate_flag) {
bytes += (double)2 * nbrick * sizeof(FFT_SCALAR);
bytes += (double)2 * nfft_both * sizeof(FFT_SCALAR);;
bytes += (double)2 * nfft_both * sizeof(FFT_SCALAR);
}
// two Grid3d bufs

2
src/KSPACE/pppm_disp.cpp
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@ -4651,7 +4651,7 @@ void PPPMDisp::poisson_ik(FFT_SCALAR* wk1, FFT_SCALAR* wk2,
for (j = nylo_i; j <= nyhi_i; j++)
for (i = nxlo_i; i <= nxhi_i; i++) {
vz_brick[k][j][i] = wk2[n++];
u_pa[k][j][i] = -wk2[n++];;
u_pa[k][j][i] = -wk2[n++];
}
}

4
src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
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@ -188,7 +188,7 @@ void PairLJCharmmfswCoulCharmmfsh::compute(int eflag, int vflag)
evdwl12 = lj3[itype][jtype]*cut_lj6*denom_lj12 *
(r6inv - cut_lj6inv)*(r6inv - cut_lj6inv);
evdwl6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 *
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);;
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);
evdwl = evdwl12 + evdwl6;
} else {
evdwl12 = r6inv*lj3[itype][jtype]*r6inv -
@ -525,7 +525,7 @@ single(int i, int j, int itype, int jtype,
philj12 = lj3[itype][jtype]*cut_lj6*denom_lj12 *
(r6inv - cut_lj6inv)*(r6inv - cut_lj6inv);
philj6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 *
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);;
(r3inv - cut_lj3inv)*(r3inv - cut_lj3inv);
philj = philj12 + philj6;
} else {
philj12 = r6inv*lj3[itype][jtype]*r6inv -

2
src/RIGID/fix_shake.cpp
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@ -877,7 +877,7 @@ void FixShake::find_clusters()
tagprev = tag[i] - iatom - 1;
npartner[i] = atommols[imol]->nspecial[iatom][0];
for (j = 0; j < npartner[i]; j++)
partner_tag[i][j] = atommols[imol]->special[iatom][j] + tagprev;;
partner_tag[i][j] = atommols[imol]->special[iatom][j] + tagprev;
}
}

2
src/SMTBQ/pair_smtbq.cpp
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@ -204,7 +204,7 @@ PairSMTBQ::~PairSMTBQ()
memory->destroy(potcov);
memory->destroy(nvsm);
memory->destroy(vsm);;
memory->destroy(vsm);
memory->destroy(flag_QEq);
memory->destroy(nQEqall);

2
src/SPIN/min_spin_lbfgs.cpp
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@ -378,7 +378,7 @@ void MinSpinLBFGS::calc_search_direction()
scaling = maximum_rotation(g_cur);
for (int i = 0; i < 3 * nlocal; i++) {
p_s[i] = -g_cur[i] * factor * scaling;;
p_s[i] = -g_cur[i] * factor * scaling;
g_old[i] = g_cur[i] * factor;
for (int k = 0; k < num_mem; k++) {
ds[k][i] = 0.0;

2
src/fix_ave_grid.cpp
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@ -931,7 +931,7 @@ void FixAveGrid::atom2grid()
vsq = v[i][0]*v[i][0] + v[i][1]*v[i][1] + v[i][2]*v[i][2];
if (rmass) one = rmass[i];
else one = mass[type[i]];
array2d[bin[i][0]][bin[i][1]][m] += one*vsq;;
array2d[bin[i][0]][bin[i][1]][m] += one*vsq;
}
}
} else {

2
src/input.cpp
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@ -567,7 +567,7 @@ void Input::substitute(char *&str, char *&str2, int &max, int &max2, int flag)
// else $x becomes x followed by null char
// beyond = points to text following variable
int i,n,paren_count,nchars;;
int i,n,paren_count,nchars;
char immediate[256];
char *var,*value,*beyond;
int quoteflag = 0;

2
src/special.cpp
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@ -958,7 +958,7 @@ void Special::combine()
void Special::angle_trim()
{
int i,j,k,m;;
int i,j,k,m;
int *num_angle = atom->num_angle;
int *num_dihedral = atom->num_dihedral;