REM Requires Windows SDK and CMake to be in the path
REM Run Windows SDK SetEnv script
- SetEnv && ^
- cmake -G "Visual Studio 10 Win64" -D GMX_DOUBLE=%GMX_DOUBLE% -D GMX_MPI=%GMX_MPI% -D GMX_OPENMP=%GMX_OPENMP% -DGMX_DEFAULT_SUFFIX=off -DCMAKE_BUILD_TYPE=Debug . && ^
- msbuild All_Build.vcxproj && ^
- ctest -D ExperimentalTest -C Debug -V
+ SetEnv /Release && ^
+ cmake -G "Visual Studio 10 Win64" -D GMX_DOUBLE=%GMX_DOUBLE% -D GMX_MPI=%GMX_MPI% -D GMX_OPENMP=%GMX_OPENMP% -DGMX_DEFAULT_SUFFIX=off . && ^
+ msbuild /m:2 /p:Configuration=MinSizeRel All_Build.vcxproj && ^
+ ctest -D ExperimentalTest -C MinSizeRel -V
-
gmx_bool bHisto, const char *fn_histo, int maxchi,
real **dih, int nlist, t_dlist dlist[],
int nframes, int nangles, const char *grpname,
- int multiplicity[], real t0, real dt, gmx_bool bRb,
- int xity[], real *time, gmx_bool bRb,
++ int multiplicity[], real *time, gmx_bool bRb,
real core_frac, const output_env_t oenv);
- /* as above but passes dlist so can copy occupancies into it, and xity[]
+ /* as above but passes dlist so can copy occupancies into it, and multiplicity[]
* (1..nangles, corresp to dih[this][], so can have non-3 multiplicity of
* rotamers. Also production of xvg output files is conditional
* and the fractional width of each rotamer can be set ie for a 3 fold
low_ana_dih_trans(TRUE, fn_trans,TRUE, fn_histo, maxchi,
dih, nlist, dlist, nframes,
- nangles, grpname, multiplicity, t0, dt, bRb, 0.5,oenv);
- nangles, grpname, xity, time, bRb, 0.5,oenv);
++ nangles, grpname, multiplicity, time, bRb, 0.5,oenv);
sfree(dlist);
- sfree(xity);
+ sfree(multiplicity);
}
void low_ana_dih_trans(gmx_bool bTrans, const char *fn_trans,
gmx_bool bHisto, const char *fn_histo, int maxchi,
real **dih, int nlist, t_dlist dlist[], int nframes,
- int nangles, const char *grpname, int multiplicity[],
- real t0, real dt, gmx_bool bRb, real core_frac,
- int nangles, const char *grpname, int xity[],
++ int nangles, const char *grpname, int multiplicity[],
+ real *time, gmx_bool bRb, real core_frac,
const output_env_t oenv)
{
FILE *fp;
low_ana_dih_trans(bDo_ot, opt2fn("-ot",NFILE,fnm),
bDo_oh, opt2fn("-oh",NFILE,fnm),maxchi,
- dih, nlist, dlist, nf, nactdih, grpname, xity,
+ dih, nlist, dlist, nf, nactdih, grpname, multiplicity,
- *time, dt, FALSE, core_frac,oenv) ;
+ time, FALSE, core_frac,oenv);
/* Order parameters */
order_params(log,opt2fn("-o",NFILE,fnm),maxchi,nlist,dlist,