$RIMP2 input to govern the use of replicated memory versus                      
shared memory, as well as the use of disk storage versus                        
distributed memory, so you can tune this to your hardware.                      
References for the various programs are given in REFS.DOC.                      
NOSYM  =   disables the orbital symmetry test completely.                       
           This is not recommended, as loss of orbital                          
           symmetry is likely to mean a bad calculation.                        
           It has the same meaning as the keyword in                            
           $CONTRL, but just for the MP2 step. (Default=0)                      
CUTOFF =   transformed integral retention threshold, the                        
           default is 1.0d-9 (1.0d-12 in FMO runs).                             
The following keyword applies only to RHF references:                           
SCSPT = spin component scaled MP2 energy selection.                             
      = NONE - the energy will be the normal MP2 value.                         
               This is the default.                                             
      = SCS  - the energy used for the potential surface                        
               will be the SCS energy value.                                    
Use of SCSPT=SCS causes gradients to be those for the SCS-                      
MP2 potential surface.  For CODE=IMS, the nuclear gradient                      
can be evaluated analytically.  See NUMGRD in $CONTRL if                        
for some reason you wish to use the other two closed shell                      
codes for SCS-MP2 gradients.                                                    
The following keywords apply to any CODE=SERIAL MP2 run, or                     
to parallel ROHF+MP2 runs using OSPT=RMP:                                       
LMOMP2=    a flag to analyze the closed shell MP2 energy                        
           in terms of localized orbitals.  Any type of                         
           localized orbital may be used.  This option                          
           is implemented only for RHF, and its selection                       
           forces use of the METHOD=3 transformation, in                        
           serial runs only.  The default is .FALSE.                            
CPHFBS =   BASISMO solves the response equations during                         
           gradient computations in the MO basis.  This                         
           is programmed only for RHF references without                        
           frozen core orbitals, when it is the default.                        
       =   BASISAO solves the response equations using                          
           AO integrals, for frozen core MP2 with a RHF                         
           reference, or for ROHF or UHF based MP2.                             
NWORD =    controls memory usage.  The default uses all                         
           available memory.  Applies to CODE=SERIAL.                           
METHOD= n  selects transformation method, 2 being the                           
           segmented transformation, and 3 being a more                         
           conventional two phase bin sort implementation.                      
           3 requires more disk, but less memory.  The                          
           default is to attempt method 2 first, and                            
           method 3 second.  Applies only to CODE=SERIAL.                       
AOINTS=    defines AO integral storage during conventional                      
           integral transformations, during parallel runs.                      
        DUP stores duplicated AO lists on each node, and                        
           is the default for parallel computers with slow                      
           interprocessor communication, e.g. ethernet.                         
        DIST distributes the AO integral file across all                        
           nodes, and is the default for parallel                               
           computers with high speed communications.                            
           Applies only to parallel OSPT=RMP runs.                              

generated on 7/7/2017