Searched refs:stoprun (Results 1 – 11 of 11) sorted by relevance
186 decltype(len) s = 0, startrun = 0, stoprun = 0, samps = 0; in ProcessOne() local212 stoprun = 0; in ProcessOne()219 stoprun++; in ProcessOne()222 if (stoprun >= mStop) { in ProcessOne()227 stoprun = 0; in ProcessOne()
194 & call stoprun('Could not recognize min Element')211 & call stoprun('Could not recognize max Element')254 call stoprun('No Element given for min/max')257 call stoprun('No Element given for min/max')262 & call stoprun('Unreasonable min/max input!')304 if (n.lt.1) call stoprun( 'no atoms' )305 if (n.gt.maxat) call stoprun( 'too many atoms' )511 call stoprun( 'radius missing' )521 call stoprun( 'C6 missing' )679 if (dum/=dum) call stoprun('internal NaN-error')[all …]
530 call stoprun( 'atomic value missing' )604 call stoprun('Coordinate format not recognized!')634 call stoprun('error reading coord file')672 call stoprun('Coordinate format not recognized!')773 & call stoprun( 'gradient read error x')775 & call stoprun( 'gradient read error y')777 & call stoprun( 'gradient read error z')1378 call stoprun( 'Error reading number of atomtypes')1385 & call stoprun( 'Error: unknown element.')1407 if (nn.NE.3) call stoprun( 'Error reading coordinates.')[all …]
881 if(i.gt.max_elem)call stoprun('wrong cardinal number (rdatpar)')890 call stoprun( 'atomic value missing' )916 if(i.gt.max_elem) call stoprun( 'wrong cardinal number (rdab)')917 if(j.gt.max_elem) call stoprun( 'wrong cardinal number (rdab)')1089 subroutine stoprun(s) subroutine1094 end subroutine stoprun argument
881 if(i.gt.max_elem)call stoprun('wrong cardinal number (rdatpar)')890 call stoprun( 'atomic value missing' )916 if(i.gt.max_elem) call stoprun( 'wrong cardinal number (rdab)')917 if(j.gt.max_elem) call stoprun( 'wrong cardinal number (rdab)')1089 subroutine stoprun(s)1094 end subroutine stoprun
451 call stoprun('No Element given for min/max')454 call stoprun('No Element given for min/max')459 . call stoprun('Unreasonable min/max input!')500 if(n.lt.1) call stoprun( 'no atoms' )501 if(n.gt.maxat) call stoprun( 'too many atoms' )704 call stoprun( 'radius missing' )714 call stoprun( 'C6 missing' )868 call stoprun('internal error')1144 call stoprun( 'functional name unknown' )1311 call stoprun( 'functional name unknown' )[all …]
446 call stoprun('No Element given for min/max')449 call stoprun('No Element given for min/max')454 . call stoprun('Unreasonable min/max input!')495 if(n.lt.1) call stoprun( 'no atoms' )496 if(n.gt.maxat) call stoprun( 'too many atoms' )699 call stoprun( 'radius missing' )709 call stoprun( 'C6 missing' )861 call stoprun('internal error')3485 call stoprun( 'atomic value missing' )3684 subroutine stoprun(s)[all …]
264 - call stoprun('No Element given for min/max')324 - if(n.lt.1) call stoprun( 'no atoms' )460 - call stoprun( 'radius missing' )470 - call stoprun( 'C6 missing' )546 - call stoprun('internal error')2095 - call stoprun( 'atomic value missing' )2350 - . call stoprun( 'gradient read error x')2352 - . call stoprun( 'gradient read error y')2354 - . call stoprun( 'gradient read error z')2433 - subroutine stoprun(s)[all …]
233 call stoprun( 'functional name unknown' )276 call stoprun( 'functional name unknown' )515 call stoprun( 'functional name unknown' )682 call stoprun( 'functional name unknown' )722 call stoprun( 'functional name unknown (TZ case)' )760 call stoprun( 'functional name unknown' )2373 subroutine stoprun(s) subroutine2380 end subroutine stoprun argument
227 call stoprun( 'functional name unknown' )270 call stoprun( 'functional name unknown' )509 call stoprun( 'functional name unknown' )676 call stoprun( 'functional name unknown' )716 call stoprun( 'functional name unknown (TZ case)' )754 call stoprun( 'functional name unknown' )2338 subroutine stoprun(s) subroutine2345 end subroutine stoprun argument
232 call stoprun( 'functional name unknown' )275 call stoprun( 'functional name unknown' )514 call stoprun( 'functional name unknown' )681 call stoprun( 'functional name unknown' )721 call stoprun( 'functional name unknown (TZ case)' )759 call stoprun( 'functional name unknown' )2377 subroutine stoprun(s) subroutine2384 end subroutine stoprun argument