|
NLSL
|
Variables | |
| integer, parameter | fatal =16 |
| integer, parameter | neperr =26 |
| integer, parameter | nmnerr =12 |
| integer, parameter | zeroin2 =1 |
| integer, parameter | posb0 =2 |
| integer, parameter | badhifld =3 |
| integer, parameter | badjmp =4 |
| integer, parameter | badav =5 |
| integer, parameter | baddj =6 |
| integer, parameter | lemxhi =7 |
| integer, parameter | bssadj =8 |
| integer, parameter | nstephi =9 |
| integer, parameter | cgtolhi =10 |
| integer, parameter | shifthi =11 |
| integer, parameter | noconvrg =12 |
| integer, parameter | noalpham =13 |
| integer, parameter | noalphad =14 |
| integer, parameter | badbess =15 |
| integer, parameter | zerob0 =16 |
| integer, parameter | zerog =17 |
| integer, parameter | tdgerr =18 |
| integer, parameter | mtxbig =19 |
| integer, parameter | dimbig =20 |
| integer, parameter | mtxhlt =21 |
| integer, parameter | cghlt =22 |
| integer, parameter | tdgbig =23 |
| integer, parameter | nomin =24 |
| integer, parameter | zeronfld =25 |
| integer, parameter | zrorange =26 |
| character *50, dimension(neperr), save | eprerr = (/ 'Zero nuclear spin assumed ' , 'Positive B0 assumed ' , 'High-field approx. may not apply ' , 'Nonzero potential with jump/free: ipdf set to 0 ' , 'Zero potential with aniso. viscos.: ipdf set to 0 ' , 'Discrete jumps with aniso. viscos.: ipdf set 0 ' , 'lemx must be 48 or less with potential ' , 'Basis set adjusted to (iii,iii,iii,iii,iii,iii,ii)' , 'NSTEP too large: adjusted to iiiii ' , 'CGTOL too small: adjusted to xxxxxxxxx ' , 'SHIFTR too small: adjusted to xxxxxxxxx ' , 'CG did not converge after iiiii steps ' , 'Angle alpham not needed w/ axial g-matrix ' , 'Angle alphad not needed w/ axial diffusion tensor ' , 'Taylor series for Bessel function did not converge' , 'Zero B0 ' , 'Zero g-tensor element ' , 'Error in tridiagonal matrix storage ' , 'Too many matrix elements ' , 'Matrix dimension too large ' , 'User halt during matrix calculation ' , 'User halt during CG tridiagonalization ' , 'Too many tridiagonal matrix elements ' , 'Bracketing did not find minimum within step bound ' , 'Number of points in spectrum is zero ' , 'Field range of spectrum is zero ' /) |
| character *32, dimension(0:nmnerr-1), save | minerr = (/ 'Bad input parameters ' , 'Chi-squared convergence ' , 'X vector convergence ' , 'Chi-squared/X vector convergence' , 'Gradient convergence ' , 'Max function evaluations reached' , 'Max iterations reached ' , 'FTOL too small ' , 'XTOL too small ' , 'Zero Jacobian or GTOL too small ' , 'Terminated internally ' , 'Single calculation completed ' /) |
| integer, parameter errmsg::badav =5 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::badbess =15 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::baddj =6 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::badhifld =3 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::badjmp =4 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::bssadj =8 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::cghlt =22 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::cgtolhi =10 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::dimbig =20 |
Definition at line 51 of file errmsg.f90.
| character*50, dimension(neperr), save errmsg::eprerr = (/ 'Zero nuclear spin assumed ' , 'Positive B0 assumed ' , 'High-field approx. may not apply ' , 'Nonzero potential with jump/free: ipdf set to 0 ' , 'Zero potential with aniso. viscos.: ipdf set to 0 ' , 'Discrete jumps with aniso. viscos.: ipdf set 0 ' , 'lemx must be 48 or less with potential ' , 'Basis set adjusted to (iii,iii,iii,iii,iii,iii,ii)' , 'NSTEP too large: adjusted to iiiii ' , 'CGTOL too small: adjusted to xxxxxxxxx ' , 'SHIFTR too small: adjusted to xxxxxxxxx ' , 'CG did not converge after iiiii steps ' , 'Angle alpham not needed w/ axial g-matrix ' , 'Angle alphad not needed w/ axial diffusion tensor ' , 'Taylor series for Bessel function did not converge' , 'Zero B0 ' , 'Zero g-tensor element ' , 'Error in tridiagonal matrix storage ' , 'Too many matrix elements ' , 'Matrix dimension too large ' , 'User halt during matrix calculation ' , 'User halt during CG tridiagonalization ' , 'Too many tridiagonal matrix elements ' , 'Bracketing did not find minimum within step bound ' , 'Number of points in spectrum is zero ' , 'Field range of spectrum is zero ' /) |
Definition at line 59 of file errmsg.f90.
| integer, parameter errmsg::fatal =16 |
Definition at line 49 of file errmsg.f90.
| integer, parameter errmsg::lemxhi =7 |
Definition at line 51 of file errmsg.f90.
| character*32, dimension(0:nmnerr-1), save errmsg::minerr = (/ 'Bad input parameters ' , 'Chi-squared convergence ' , 'X vector convergence ' , 'Chi-squared/X vector convergence' , 'Gradient convergence ' , 'Max function evaluations reached' , 'Max iterations reached ' , 'FTOL too small ' , 'XTOL too small ' , 'Zero Jacobian or GTOL too small ' , 'Terminated internally ' , 'Single calculation completed ' /) |
Definition at line 88 of file errmsg.f90.
| integer, parameter errmsg::mtxbig =19 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::mtxhlt =21 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::neperr =26 |
Definition at line 49 of file errmsg.f90.
| integer, parameter errmsg::nmnerr =12 |
Definition at line 49 of file errmsg.f90.
| integer, parameter errmsg::noalphad =14 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::noalpham =13 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::noconvrg =12 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::nomin =24 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::nstephi =9 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::posb0 =2 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::shifthi =11 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::tdgbig =23 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::tdgerr =18 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::zerob0 =16 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::zerog =17 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::zeroin2 =1 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::zeronfld =25 |
Definition at line 51 of file errmsg.f90.
| integer, parameter errmsg::zrorange =26 |
Definition at line 51 of file errmsg.f90.
1.8.9.1 
