static void print_converged(FILE *fp, const char *alg, real ftol,
- gmx_large_int_t count, gmx_bool bDone, gmx_large_int_t nsteps,
+ gmx_int64_t count, gmx_bool bDone, gmx_int64_t nsteps,
real epot, real fmax, int nfmax, real fnorm)
{
char buf[STEPSTRSIZE];
gmx_mdoutf_t *outf,
gmx_bool bX, gmx_bool bF, const char *confout,
gmx_mtop_t *top_global,
- t_inputrec *ir, gmx_large_int_t step,
+ t_inputrec *ir, gmx_int64_t step,
em_state_t *state,
t_state *state_global, rvec *f_global)
{
em_state_t *ems1, real a, rvec *f, em_state_t *ems2,
gmx_constr_t constr, gmx_localtop_t *top,
t_nrnb *nrnb, gmx_wallcycle_t wcycle,
- gmx_large_int_t count)
+ gmx_int64_t count)
{
t_state *s1, *s2;
t_graph *graph, t_mdatoms *mdatoms,
t_forcerec *fr, rvec mu_tot,
gmx_enerdata_t *enerd, tensor vir, tensor pres,
- gmx_large_int_t count, gmx_bool bFirst)
+ gmx_int64_t count, gmx_bool bFirst)
{
real t;
gmx_bool bNS;
rvec mu_tot;
rvec *fneg, *dfdx;
gmx_bool bSparse; /* use sparse matrix storage format */
- size_t sz=0;
+ size_t sz = 0;
gmx_sparsematrix_t * sparse_matrix = NULL;
real * full_matrix = NULL;
em_state_t * state_work;