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CIFREQ$.EXEC00
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CIFREQ$.EXEC00
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&TRACE ERR
*GLOBAL TXTLIB VEMLLIB VFORTLIB CMSLIB UTILITY
*GLOBAL LOADLIB VFLODLIB
EXEC HFSINIT
* THIS EXEC RUNS CIGRPR$ IN A LOOP, UP TO "&ITERATE" NUMBER OF TIMES,
* OVER GEOMETRIES WHICH ARE IN FILES OF FILETYPE "INFIL1", "INFIL2",
* ... "INFIL&ITERATE". THIS EXEC IS SPECIFICALLY DESIGNED TO GENERATE
* A "FILE11" FULL OF GRADIENTS FOR FINITE-DISPLACEMENT APPLICATIONS.
* IN ORDER TO REDUCE SCF ITERATIONS, THE UNPERTURBED OR STARTING
* VECTOR SHOULD BE IN A FILE OF FILETYPE "OPTVEC30". ALL OF THE
* OUTPUTS ARE COLLECTED INTO A FILE WITH FILETYPE "TOTALOUT &TMP1".
* IT IS BEST TO COPY AND MODIFY THIS EXEC TO SUIT YOUR OWN NEEDS.
&A = CIFREQ
&B = ******************
&C = &STRING OF &B &A **&B &1 &B
&TYPE &C
&IF &N < 2 &GOTO -JOBSTART
&TMP1 = &CONCAT OF &2 1
&TMP2 = &CONCAT OF &2 2
&TMP4 = &CONCAT OF &2 4
-JOBSTART
CP QUERY TIME
&ITERATE = 7
&ITERNUM = 1
&LOOP -ENDITER &ITERATE
&INFILE = &CONCAT OF INFIL &ITERNUM
&ITERNUM = &ITERNUM + 1
&FILENAM = &STRING OF &1 &INFILE A
&TYPE &FILENAM
COPYFILE &1 &INFILE A1 = INFIL = (REPLACE
ERASE &1 FILE30 A4
COPYFILE &1 OPTVEC30 A4 = FILE30 =
*
EXEC GEOM$ &1
EXEC CIGRPR$ &1
STATE &1 TOTALOUT V1
&IF &RETCODE = 0 &GOTO -NEXTCOPY
COPYFILE &1 OUTPUT A = TOTALOUT V1
&GOTO -ENDITER
-NEXTCOPY
COPYFILE &1 OUTPUT A = TOTALOUT V1 (APPEND
-ENDITER
&EXIT