43.14 Service mode

SERVICE;
This keyword takes precedence over any others previously defined to CASVB. It provides simple facilities for retrieving orbital coefficients and VB structure coefficients. It should not be used during a run of CASVB that has been invoked from inside MULTI.

START,record.file;
Coefficients are taken from record.file. The default value is 2100.2.

WRITE,iwrite;
Vectors in the symmetry orbital basis are written to channel iabs(iwrite). The default action is to write these vectors to the standard output. If iwrite is negative, then the vectors are instead written to a binary file as a single record.

SPECIAL,idim1,idim2,idim3,idim4;
If present, this keyword must come last. The program attempts to retrieve from record.file a vector of length idim1*idim2+idim3, after first skipping idim4 elements. The vector is written according to the setting of iwrite. (Default idim values are zero.)


molpro@molpro.net 2018-10-21