本文整理汇总了C++中clear_mat函数的典型用法代码示例。如果您正苦于以下问题:C++ clear_mat函数的具体用法?C++ clear_mat怎么用?C++ clear_mat使用的例子?那么恭喜您, 这里精选的函数代码示例或许可以为您提供帮助。
在下文中一共展示了clear_mat函数的20个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于我们的系统推荐出更棒的C++代码示例。
示例1: init_state
void init_state(t_state *state,int natoms,int ngtc)
{
int i;
state->natoms = natoms;
state->nrng = 0;
state->flags = 0;
state->lambda = 0;
clear_mat(state->box);
clear_mat(state->box_rel);
clear_mat(state->boxv);
clear_mat(state->pres_prev);
init_gtc_state(state,ngtc);
state->nalloc = state->natoms;
if (state->nalloc > 0) {
snew(state->x,state->nalloc);
snew(state->v,state->nalloc);
} else {
state->x = NULL;
state->v = NULL;
}
state->sd_X = NULL;
state->cg_p = NULL;
init_ekinstate(&state->ekinstate);
init_energyhistory(&state->enerhist);
state->ddp_count = 0;
state->ddp_count_cg_gl = 0;
state->cg_gl = NULL;
state->cg_gl_nalloc = 0;
}
开发者ID:aar2163,项目名称:GROMACS,代码行数:33,代码来源:typedefs.c
示例2: init_grptcstat
static void init_grptcstat(int ngtc, t_grp_tcstat tcstat[])
{
int i, j;
for (i = 0; (i < ngtc); i++)
{
tcstat[i].T = 0;
clear_mat(tcstat[i].ekinh);
clear_mat(tcstat[i].ekinh_old);
clear_mat(tcstat[i].ekinf);
}
}
开发者ID:smendozabarrera,项目名称:gromacs,代码行数:12,代码来源:tgroup.c
示例3: calc_x_times_f
static void calc_x_times_f(int nxf, const rvec x[], const rvec f[],
gmx_bool bScrewPBC, const matrix box,
matrix x_times_f)
{
clear_mat(x_times_f);
for (int i = 0; i < nxf; i++)
{
for (int d = 0; d < DIM; d++)
{
for (int n = 0; n < DIM; n++)
{
x_times_f[d][n] += x[i][d]*f[i][n];
}
}
if (bScrewPBC)
{
int isx = IS2X(i);
/* We should correct all odd x-shifts, but the range of isx is -2 to 2 */
if (isx == 1 || isx == -1)
{
for (int d = 0; d < DIM; d++)
{
for (int n = 0; n < DIM; n++)
{
x_times_f[d][n] += box[d][d]*f[i][n];
}
}
}
}
}
}
开发者ID:friforever,项目名称:gromacs,代码行数:33,代码来源:calcvir.cpp
示例4: calc_virial
static void calc_virial(FILE *fplog,int start,int homenr,rvec x[],rvec f[],
tensor vir_part,t_graph *graph,matrix box,
t_nrnb *nrnb,const t_forcerec *fr,int ePBC)
{
int i,j;
tensor virtest;
/* The short-range virial from surrounding boxes */
clear_mat(vir_part);
calc_vir(fplog,SHIFTS,fr->shift_vec,fr->fshift,vir_part,ePBC==epbcSCREW,box);
inc_nrnb(nrnb,eNR_VIRIAL,SHIFTS);
/* Calculate partial virial, for local atoms only, based on short range.
* Total virial is computed in global_stat, called from do_md
*/
f_calc_vir(fplog,start,start+homenr,x,f,vir_part,graph,box);
inc_nrnb(nrnb,eNR_VIRIAL,homenr);
/* Add position restraint contribution */
for(i=0; i<DIM; i++) {
vir_part[i][i] += fr->vir_diag_posres[i];
}
/* Add wall contribution */
for(i=0; i<DIM; i++) {
vir_part[i][ZZ] += fr->vir_wall_z[i];
}
if (debug)
pr_rvecs(debug,0,"vir_part",vir_part,DIM);
}
开发者ID:alejandrox1,项目名称:gromacs_flatbottom,代码行数:31,代码来源:sim_util.c
示例5: xyz_first_x
static int xyz_first_x(t_trxstatus *status, FILE *fp, const output_env_t oenv,
real *t, rvec **x, matrix box)
/* Reads fp, mallocs x, and returns x and box
* Returns natoms when successful, FALSE otherwise
*/
{
int m;
initcount(status);
clear_mat(box);
choose_file_format(fp);
for (m = 0; (m < DIM); m++)
{
box[m][m] = status->BOX[m];
}
snew(*x, status->NATOMS);
*t = status->DT;
if (!xyz_next_x(status, fp, oenv, t, status->NATOMS, *x, box))
{
return 0;
}
*t = 0.0;
return status->NATOMS;
}
开发者ID:pslacerda,项目名称:gromacs,代码行数:28,代码来源:trxio.c
示例6: rotate_x
static void rotate_x(int natom,rvec xin[],real angle,rvec xout[],
gmx_bool bZ,gmx_bool bUpsideDown,real dz)
{
int i;
matrix mat;
angle *= DEG2RAD;
clear_mat(mat);
if (bZ) {
mat[XX][XX] = cos(angle);
mat[XX][YY] = sin(angle);
mat[YY][XX] = -sin(angle);
mat[YY][YY] = cos(angle);
mat[ZZ][ZZ] = 1;
}
else {
mat[XX][XX] = 1;
mat[YY][YY] = cos(angle);
mat[YY][ZZ] = sin(angle);
mat[ZZ][YY] = -sin(angle);
mat[ZZ][ZZ] = cos(angle);
}
for(i=0; (i<natom); i++) {
mvmul(mat,xin[i],xout[i]);
if (bUpsideDown)
xout[i][ZZ] *= -1;
xout[i][ZZ] += dz;
}
}
开发者ID:daniellandau,项目名称:gromacs,代码行数:30,代码来源:hexamer.c
示例7: clear_trxframe
void clear_trxframe(t_trxframe *fr,gmx_bool bFirst)
{
fr->not_ok = 0;
fr->bTitle = FALSE;
fr->bStep = FALSE;
fr->bTime = FALSE;
fr->bLambda = FALSE;
fr->bAtoms = FALSE;
fr->bPrec = FALSE;
fr->bX = FALSE;
fr->bV = FALSE;
fr->bF = FALSE;
fr->bBox = FALSE;
if (bFirst) {
fr->flags = 0;
fr->bDouble= FALSE;
fr->natoms = -1;
fr->t0 = 0;
fr->tpf = 0;
fr->tppf = 0;
fr->title = NULL;
fr->step = 0;
fr->time = 0;
fr->lambda = 0;
fr->atoms = NULL;
fr->prec = 0;
fr->x = NULL;
fr->v = NULL;
fr->f = NULL;
clear_mat(fr->box);
fr->bPBC = FALSE;
fr->ePBC = -1;
}
}
开发者ID:andersx,项目名称:gmx-debug,代码行数:34,代码来源:trxio.c
示例8: PySequence_Length
PyObject *wrap_calc_fit_R(PyObject *self,PyObject *args)
{
PyObject *cs1, *cs2, *mass;
if(!PyArg_ParseTuple(args,"OOO",&cs1, &cs2, &mass))
return NULL;
int natoms1 = PySequence_Length(cs1);
int natoms2 = PySequence_Length(cs2);
if( natoms1 != natoms2 ) {
Error("Cannot fit coordinate sets with different lengths");
}
rvec x1[natoms1];
rvec x2[natoms1];
real m[natoms1];
PyObject2rvec( cs1, x1, natoms1);
PyObject2rvec( cs2, x2, natoms2);
PyObject2real_array(mass, m, natoms1);
center(x1, natoms1);
center(x2, natoms1);
matrix R;
clear_mat(R);
calc_fit_R(natoms1,m,x1,x2,R);
PyObject *ret = matrix2PyObject(R);
return ret;
}
开发者ID:esguerra,项目名称:pmx,代码行数:25,代码来源:wrap_Geometry.c
示例9: matrix_log
// -----------------------------------------------------------------
// Take log of hermitian part of decomposition to define scalar field
void matrix_log(matrix *in, matrix *out) {
char V = 'V'; // Ask LAPACK for both eigenvalues and eigenvectors
char U = 'U'; // Have LAPACK store upper triangle of in
int row, col, Npt = NCOL, stat = 0, Nwork = 2 * NCOL;
matrix evecs, tmat;
// Convert in to column-major double array used by LAPACK
for (row = 0; row < NCOL; row++) {
for (col = 0; col < NCOL; col++) {
store[2 * (col * NCOL + row)] = in->e[row][col].real;
store[2 * (col * NCOL + row) + 1] = in->e[row][col].imag;
}
}
// Compute eigenvalues and eigenvectors of in
zheev_(&V, &U, &Npt, store, &Npt, eigs, work, &Nwork, Rwork, &stat);
if (stat != 0)
printf("WARNING: zheev returned error message %d\n", stat);
// Move the results back into matrix structures
// Use evecs to hold the eigenvectors for projection
clear_mat(out);
for (row = 0; row < NCOL; row++) {
for (col = 0; col < NCOL; col++) {
evecs.e[row][col].real = store[2 * (col * NCOL + row)];
evecs.e[row][col].imag = store[2 * (col * NCOL + row) + 1];
}
out->e[row][row].real = log(eigs[row]);
}
// Inverse of eigenvector matrix is simply adjoint
mult_na(out, &evecs, &tmat);
mult_nn(&evecs, &tmat, out);
}
开发者ID:rgjha,项目名称:susy,代码行数:36,代码来源:unit.c
示例10: clear_trxframe
void clear_trxframe(t_trxframe *fr, gmx_bool bFirst)
{
fr->not_ok = 0;
fr->bStep = FALSE;
fr->bTime = FALSE;
fr->bLambda = FALSE;
fr->bFepState = FALSE;
fr->bAtoms = FALSE;
fr->bPrec = FALSE;
fr->bX = FALSE;
fr->bV = FALSE;
fr->bF = FALSE;
fr->bBox = FALSE;
if (bFirst)
{
fr->bDouble = FALSE;
fr->natoms = -1;
fr->step = 0;
fr->time = 0;
fr->lambda = 0;
fr->fep_state = 0;
fr->atoms = nullptr;
fr->prec = 0;
fr->x = nullptr;
fr->v = nullptr;
fr->f = nullptr;
clear_mat(fr->box);
fr->bPBC = FALSE;
fr->ePBC = -1;
}
}
开发者ID:HITS-MBM,项目名称:gromacs-fda,代码行数:31,代码来源:trxio.cpp
示例11: calc_vcm_grp
/* Center of mass code for groups */
void calc_vcm_grp(int start, int homenr, t_mdatoms *md,
rvec x[], rvec v[], t_vcm *vcm)
{
int i, g, m;
real m0;
rvec j0;
if (vcm->mode != ecmNO)
{
/* Also clear a possible rest group */
for (g = 0; (g < vcm->nr+1); g++)
{
/* Reset linear momentum */
vcm->group_mass[g] = 0;
clear_rvec(vcm->group_p[g]);
if (vcm->mode == ecmANGULAR)
{
/* Reset anular momentum */
clear_rvec(vcm->group_j[g]);
clear_rvec(vcm->group_x[g]);
clear_rvec(vcm->group_w[g]);
clear_mat(vcm->group_i[g]);
}
}
g = 0;
for (i = start; (i < start+homenr); i++)
{
m0 = md->massT[i];
if (md->cVCM)
{
g = md->cVCM[i];
}
/* Calculate linear momentum */
vcm->group_mass[g] += m0;
for (m = 0; (m < DIM); m++)
{
vcm->group_p[g][m] += m0*v[i][m];
}
if (vcm->mode == ecmANGULAR)
{
/* Calculate angular momentum */
cprod(x[i], v[i], j0);
for (m = 0; (m < DIM); m++)
{
vcm->group_j[g][m] += m0*j0[m];
vcm->group_x[g][m] += m0*x[i][m];
}
/* Update inertia tensor */
update_tensor(x[i], m0, vcm->group_i[g]);
}
}
}
}
开发者ID:rmcgibbo,项目名称:gromacs,代码行数:59,代码来源:vcm.cpp
示例12: get_enx_state
void get_enx_state(char *fn, real t, gmx_groups_t *groups, t_inputrec *ir,
t_state *state)
{
/* Should match the names in mdebin.c */
static const char *boxvel_nm[] = {
"Box-Vel-XX", "Box-Vel-YY", "Box-Vel-ZZ",
"Box-Vel-YX", "Box-Vel-ZX", "Box-Vel-ZY"
};
static const char *pcouplmu_nm[] = {
"Pcoupl-Mu-XX", "Pcoupl-Mu-YY", "Pcoupl-Mu-ZZ",
"Pcoupl-Mu-YX", "Pcoupl-Mu-ZX", "Pcoupl-Mu-ZY"
};
int ind0[] = { XX,YY,ZZ,YY,ZZ,ZZ };
int ind1[] = { XX,YY,ZZ,XX,XX,YY };
int in,nre,nfr,i,ni,npcoupl;
char buf[STRLEN];
gmx_enxnm_t *enm;
t_enxframe *fr;
in = open_enx(fn,"r");
do_enxnms(in,&nre,&enm);
snew(fr,1);
nfr = 0;
while ((nfr==0 || fr->t != t) && do_enx(in,fr)) {
nfr++;
}
close_enx(in);
fprintf(stderr,"\n");
if (nfr == 0 || fr->t != t)
gmx_fatal(FARGS,"Could not find frame with time %f in '%s'",t,fn);
npcoupl = TRICLINIC(ir->compress) ? 6 : 3;
if (ir->epc == epcPARRINELLORAHMAN) {
clear_mat(state->boxv);
for(i=0; i<npcoupl; i++) {
state->boxv[ind0[i]][ind1[i]] =
find_energy(boxvel_nm[i],nre,enm,fr);
}
fprintf(stderr,"\nREAD %d BOX VELOCITIES FROM %s\n\n",npcoupl,fn);
}
if (ir->etc == etcNOSEHOOVER) {
for(i=0; i<state->ngtc; i++) {
ni = groups->grps[egcTC].nm_ind[i];
sprintf(buf,"Xi-%s",*(groups->grpname[ni]));
state->nosehoover_xi[i] = find_energy(buf,nre,enm,fr);
}
fprintf(stderr,"\nREAD %d NOSE-HOOVER Xi's FROM %s\n\n",state->ngtc,fn);
}
free_enxnms(nre,enm);
free_enxframe(fr);
sfree(fr);
}
开发者ID:aar2163,项目名称:GROMACS,代码行数:57,代码来源:enxio.c
示例13: calc_cm
real calc_cm(FILE *log,int natoms,real mass[],rvec x[],rvec v[],
rvec xcm,rvec vcm,rvec acm,matrix L)
{
rvec dx,a0;
real tm,m0;
int i,m;
clear_rvec(xcm);
clear_rvec(vcm);
clear_rvec(acm);
tm=0.0;
for(i=0; (i<natoms); i++) {
m0=mass[i];
tm+=m0;
cprod(x[i],v[i],a0);
for(m=0; (m<DIM); m++) {
xcm[m]+=m0*x[i][m]; /* c.o.m. position */
vcm[m]+=m0*v[i][m]; /* c.o.m. velocity */
acm[m]+=m0*a0[m]; /* rotational velocity around c.o.m. */
}
}
cprod(xcm,vcm,a0);
for(m=0; (m<DIM); m++) {
xcm[m]/=tm;
vcm[m]/=tm;
acm[m]-=a0[m]/tm;
}
#define PVEC(str,v) fprintf(log,\
"%s[X]: %10.5e %s[Y]: %10.5e %s[Z]: %10.5e\n", \
str,v[0],str,v[1],str,v[2])
#ifdef DEBUG
PVEC("xcm",xcm);
PVEC("acm",acm);
PVEC("vcm",vcm);
#endif
clear_mat(L);
for(i=0; (i<natoms); i++) {
m0=mass[i];
for(m=0; (m<DIM); m++)
dx[m]=x[i][m]-xcm[m];
L[XX][XX]+=dx[XX]*dx[XX]*m0;
L[XX][YY]+=dx[XX]*dx[YY]*m0;
L[XX][ZZ]+=dx[XX]*dx[ZZ]*m0;
L[YY][YY]+=dx[YY]*dx[YY]*m0;
L[YY][ZZ]+=dx[YY]*dx[ZZ]*m0;
L[ZZ][ZZ]+=dx[ZZ]*dx[ZZ]*m0;
}
#ifdef DEBUG
PVEC("L-x",L[XX]);
PVEC("L-y",L[YY]);
PVEC("L-z",L[ZZ]);
#endif
return tm;
}
开发者ID:BioinformaticsArchive,项目名称:GromPy,代码行数:57,代码来源:random.c
示例14: calc1_norm
/* the non-mass-weighted mean-squared displacement calcuation */
static real calc1_norm(t_corr *curr, int nx, atom_id index[], int nx0, rvec xc[],
rvec dcom, gmx_bool bTen, matrix mat)
{
int i, ix, m, m2;
real g, r, r2;
rvec rv;
g = 0.0;
clear_mat(mat);
for (i = 0; (i < nx); i++)
{
ix = index[i];
r2 = 0.0;
switch (curr->type)
{
case NORMAL:
for (m = 0; (m < DIM); m++)
{
rv[m] = xc[ix][m] - curr->x0[nx0][ix][m] - dcom[m];
r2 += rv[m]*rv[m];
if (bTen)
{
for (m2 = 0; m2 <= m; m2++)
{
mat[m][m2] += rv[m]*rv[m2];
}
}
}
break;
case X:
case Y:
case Z:
r = xc[ix][curr->type-X] - curr->x0[nx0][ix][curr->type-X] -
dcom[curr->type-X];
r2 += r*r;
break;
case LATERAL:
for (m = 0; (m < DIM); m++)
{
if (m != curr->axis)
{
r = xc[ix][m] - curr->x0[nx0][ix][m] - dcom[m];
r2 += r*r;
}
}
break;
default:
gmx_fatal(FARGS, "Error: did not expect option value %d", curr->type);
}
g += r2;
}
g /= nx;
msmul(mat, 1.0/nx, mat);
return g;
}
开发者ID:carryer123,项目名称:gromacs,代码行数:58,代码来源:gmx_msd.cpp
示例15: set_box_rel
void set_box_rel(t_inputrec *ir,t_state *state)
{
/* Make sure the box obeys the restrictions before we fix the ratios */
correct_box(NULL,0,state->box,NULL);
clear_mat(state->box_rel);
if (PRESERVE_SHAPE(*ir))
do_box_rel(ir,state->box_rel,state->box,TRUE);
}
开发者ID:aar2163,项目名称:GROMACS,代码行数:10,代码来源:typedefs.c
示例16: set_box_rel
void set_box_rel(t_inputrec *ir, t_state *state)
{
/* Make sure the box obeys the restrictions before we fix the ratios */
correct_box(NULL, 0, state->box, NULL);
clear_mat(state->box_rel);
if (inputrecPreserveShape(ir))
{
do_box_rel(ir, state->box_rel, state->box, TRUE);
}
}
开发者ID:MelroLeandro,项目名称:gromacs,代码行数:12,代码来源:boxutilities.cpp
示例17: calc_ke_part_visc
void calc_ke_part_visc(matrix box,rvec x[],rvec v[],
t_grpopts *opts,t_mdatoms *md,
gmx_ekindata_t *ekind,
t_nrnb *nrnb,real lambda)
{
int start=md->start,homenr=md->homenr;
int g,d,n,gt=0;
rvec v_corrt;
real hm;
t_grp_tcstat *tcstat=ekind->tcstat;
t_cos_acc *cosacc=&(ekind->cosacc);
real dekindl;
real fac,cosz;
double mvcos;
for(g=0; g<opts->ngtc; g++) {
copy_mat(ekind->tcstat[g].ekinh,ekind->tcstat[g].ekinh_old);
clear_mat(ekind->tcstat[g].ekinh);
}
ekind->dekindl_old = ekind->dekindl;
fac = 2*M_PI/box[ZZ][ZZ];
mvcos = 0;
dekindl = 0;
for(n=start; n<start+homenr; n++) {
if (md->cTC)
gt = md->cTC[n];
hm = 0.5*md->massT[n];
/* Note that the times of x and v differ by half a step */
cosz = cos(fac*x[n][ZZ]);
/* Calculate the amplitude of the new velocity profile */
mvcos += 2*cosz*md->massT[n]*v[n][XX];
copy_rvec(v[n],v_corrt);
/* Subtract the profile for the kinetic energy */
v_corrt[XX] -= cosz*cosacc->vcos;
for(d=0; (d<DIM); d++) {
tcstat[gt].ekinh[XX][d]+=hm*v_corrt[XX]*v_corrt[d];
tcstat[gt].ekinh[YY][d]+=hm*v_corrt[YY]*v_corrt[d];
tcstat[gt].ekinh[ZZ][d]+=hm*v_corrt[ZZ]*v_corrt[d];
}
if(md->nPerturbed && md->bPerturbed[n])
dekindl -= 0.5*(md->massB[n] - md->massA[n])*iprod(v_corrt,v_corrt);
}
ekind->dekindl = dekindl;
cosacc->mvcos = mvcos;
inc_nrnb(nrnb,eNR_EKIN,homenr);
}
开发者ID:alejandrox1,项目名称:gromacs_flatbottom,代码行数:50,代码来源:update.c
示例18: calc1_mw
/* the normal, mass-weighted mean-squared displacement calcuation */
static real calc1_mw(t_corr *curr,int nx,atom_id index[],int nx0,rvec xc[],
rvec dcom,gmx_bool bTen,matrix mat,const output_env_t oenv)
{
int i;
real g,tm;
g=tm=0.0;
clear_mat(mat);
for(i=0; (i<nx); i++)
g += calc_one_mw(curr,index[i],nx0,xc,&tm,dcom,bTen,mat);
g/=tm;
if (bTen)
msmul(mat,1/tm,mat);
return g;
}
开发者ID:BradleyDickson,项目名称:ABPenabledGROMACS,代码行数:18,代码来源:gmx_msd.c
示例19: calc_ke_part
void calc_ke_part(rvec v[],t_grpopts *opts,t_mdatoms *md,
gmx_ekindata_t *ekind,
t_nrnb *nrnb,real lambda)
{
int start=md->start,homenr=md->homenr;
int g,d,n,ga=0,gt=0;
rvec v_corrt;
real hm;
t_grp_tcstat *tcstat=ekind->tcstat;
t_grp_acc *grpstat=ekind->grpstat;
real dekindl;
/* group velocities are calculated in update_ekindata and
* accumulated in acumulate_groups.
* Now the partial global and groups ekin.
*/
for(g=0; (g<opts->ngtc); g++) {
copy_mat(ekind->tcstat[g].ekinh,ekind->tcstat[g].ekinh_old);
clear_mat(ekind->tcstat[g].ekinh);
}
ekind->dekindl_old = ekind->dekindl;
dekindl = 0;
for(n=start; (n<start+homenr); n++) {
if (md->cACC)
ga = md->cACC[n];
if (md->cTC)
gt = md->cTC[n];
hm = 0.5*md->massT[n];
for(d=0; (d<DIM); d++) {
v_corrt[d] = v[n][d] - grpstat[ga].u[d];
}
for(d=0; (d<DIM); d++) {
tcstat[gt].ekinh[XX][d]+=hm*v_corrt[XX]*v_corrt[d];
tcstat[gt].ekinh[YY][d]+=hm*v_corrt[YY]*v_corrt[d];
tcstat[gt].ekinh[ZZ][d]+=hm*v_corrt[ZZ]*v_corrt[d];
}
if (md->nMassPerturbed && md->bPerturbed[n])
dekindl -= 0.5*(md->massB[n] - md->massA[n])*iprod(v_corrt,v_corrt);
}
ekind->dekindl = dekindl;
inc_nrnb(nrnb,eNR_EKIN,homenr);
}
开发者ID:alejandrox1,项目名称:gromacs_flatbottom,代码行数:45,代码来源:update.c
示例20: calc1_mol
static real calc1_mol(t_corr *curr,int nx,atom_id index[],int nx0,rvec xc[],
rvec dcom,gmx_bool bTen,matrix mat, const output_env_t oenv)
{
int i;
real g,tm,gtot,tt;
tt = curr->time[in_data(curr,nx0)];
gtot = 0;
tm = 0;
clear_mat(mat);
for(i=0; (i<nx); i++) {
g = calc_one_mw(curr,i,nx0,xc,&tm,dcom,bTen,mat);
/* We don't need to normalize as the mass was set to 1 */
gtot += g;
if (tt >= curr->beginfit && (curr->endfit < 0 || tt <= curr->endfit))
gmx_stats_add_point(curr->lsq[nx0][i],tt,g,0,0);
}
msmul(mat,1.0/nx,mat);
return gtot/nx;
}
开发者ID:BradleyDickson,项目名称:ABPenabledGROMACS,代码行数:21,代码来源:gmx_msd.c
注:本文中的clear_mat函数示例由纯净天空整理自Github/MSDocs等源码及文档管理平台,相关代码片段筛选自各路编程大神贡献的开源项目,源码版权归原作者所有,传播和使用请参考对应项目的License;未经允许,请勿转载。 |
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