[molpro-user] Errors in manual: DELT and OPRD
reinh at lct.jussieu.fr
Tue Mar 20 11:49:51 GMT 2007
for these details you may look into the code :
data opp/'LOAD','SAVE','NATO','ADD ','TRAC','MULT',
> 'PRIN','PRIO','ELEM','READ','WRIT','DMO ',
> 'TRAN','SET ','DIAG','PRID','MODS','OPRD',
So it should exist.
9200 call gets(icol,name,1)
means that there is two names, and three numbers on the line.
The operation is what it says in the manual
Density DENSU read from record 2200.2 Type=MATROP/CHARGE
Coulomb matrix CC made using density DENSU
CC11 = CC11 + 1 CC(1 * 1`)
Matrix DFTP loaded from record 2900.1
Operator H01 loaded to H01
GORCH = H01 + 2 CC + DFTP
Matrix GORCH written to file gorch.mat
I agree that there are some misprints in the manual, for instance
EXCH is documented as COUL.
> Next up is the "OPRD" directive in matrop, for which I unfortunately
> don't know the correct version, resulting in the error
> "Unknown directive OPRD for command MATROP".
> Anybody knows this one?
> Thanks in advance,
> Jutho Haegeman
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