typedef struct
{
real deltaF0;
- bool bHarmonic;
+ gmx_bool bHarmonic;
real tau;
real deltaF;
real kT;
typedef struct edipar
{
int nini; /* total Nr of atoms */
- bool fitmas; /* true if trans fit with cm */
- bool pcamas; /* true if mass-weighted PCA */
+ gmx_bool fitmas; /* true if trans fit with cm */
+ gmx_bool pcamas; /* true if mass-weighted PCA */
int presteps; /* number of steps to run without any
* perturbations ... just monitoring */
int outfrq; /* freq (in steps) of writing to edo */
void read_eigenvalues(int vecs[],const char *eigfile, real values[],
- bool bHesse, real kT)
+ gmx_bool bHesse, real kT)
{
int neig,nrow,i;
double **eigval;
static int* listen[evEND];
static real T=300.0;
const real kB = 2.5 / 300.0; /* k_boltzmann in MD units */
- static bool bRestrain = FALSE;
- static bool bHesse=FALSE;
- static bool bHarmonic=FALSE;
+ static gmx_bool bRestrain = FALSE;
+ static gmx_bool bHesse=FALSE;
+ static gmx_bool bHarmonic=FALSE;
t_pargs pa[] = {
{ "-mon", FALSE, etSTR, {&evSelections[evMON]},
"Indices of eigenvectors for projections of x (e.g. 1,2-5,9) or 1-100:10 means 1 11 21 31 ... 91" },
char title[STRLEN];
matrix topbox;
rvec *xtop;
- bool bTop, bFit1;
+ gmx_bool bTop, bFit1;
t_filenm fnm[] = {
{ efTRN, "-f", "eigenvec", ffREAD },