/* these integration routines are only referenced inside this file */
static void NHC_trotter(t_grpopts *opts,int nvar, gmx_ekindata_t *ekind,real dtfull,
- double xi[],double vxi[], double scalefac[], real *veta, t_extmass *MassQ, bool bEkinAveVel)
+ double xi[],double vxi[], double scalefac[], real *veta, t_extmass *MassQ, gmx_bool bEkinAveVel)
{
/* general routine for both barostat and thermostat nose hoover chains */
double *ivxi,*ixi;
double *iQinv;
double *GQ;
- bool bBarostat;
+ gmx_bool bBarostat;
int mstepsi, mstepsj;
int ns = SUZUKI_YOSHIDA_NUM; /* set the degree of integration in the types/state.h file */
int nh = opts->nhchainlength;
void parrinellorahman_pcoupl(FILE *fplog,gmx_large_int_t step,
t_inputrec *ir,real dt,tensor pres,
tensor box,tensor box_rel,tensor boxv,
- tensor M,matrix mu,bool bFirstStep)
+ tensor M,matrix mu,gmx_bool bFirstStep)
{
/* This doesn't do any coordinate updating. It just
* integrates the box vector equations from the calculated
double *scalefac,dtc;
int *trotter_seq;
rvec sumv,consk;
- bool bCouple;
+ gmx_bool bCouple;
if (trotter_seqno <= ettTSEQ2)
{
sfree(scalefac);
}
-int **init_npt_vars(t_inputrec *ir, t_state *state, t_extmass *MassQ, bool bTrotter)
+int **init_npt_vars(t_inputrec *ir, t_state *state, t_extmass *MassQ, gmx_bool bTrotter)
{
int n,i,j,d,ntgrp,ngtc,nnhpres,nh,gc=0;
t_grp_tcstat *tcstat;