Changeset c021909
- Timestamp:
- 11/19/09 11:29:31 (14 years ago)
- Branches:
- master
- Children:
- 6012d3f
- Parents:
- 08edfcf
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
partem_p.f
r08edfcf rc021909 43 43 double precision pbe(MAX_PROC),yol(MAX_PROC),acy(MAX_PROC), 44 44 & acy1(MAX_PROC),acx1(MAX_PROC), 45 & rgyrp(MAX_PROC),rmsdp(MAX_PROC), eol0, rgyp,acz045 & rgyrp(MAX_PROC),rmsdp(MAX_PROC), eol0,acz0 46 46 47 47 double precision e_min, e_minp(MAX_PROC), e_minpt(MAX_PROC) … … 67 67 ! asap storage array for solvent accessible surface 68 68 ! vdvolp storage array for van-der-Waals volume 69 double precision asa p(MAX_PROC), vdvolp(MAX_PROC)69 double precision asa_p(MAX_PROC), vdvolp(MAX_PROC) 70 70 71 71 integer nhelp(MAX_PROC),nbetp(MAX_PROC), mhbp(MAX_PROC), … … 325 325 CALL MPI_GATHER(eysmi,1,MPI_DOUBLE_PRECISION,eysmip,1, 326 326 & MPI_DOUBLE_PRECISION,0,partem_comm,IERR) 327 CALL MPI_GATHER(asa,1,MPI_DOUBLE_PRECISION,asa p,1,327 CALL MPI_GATHER(asa,1,MPI_DOUBLE_PRECISION,asa_p,1, 328 328 & MPI_DOUBLE_PRECISION,0,partem_comm,IERR) 329 329 CALL MPI_GATHER(vdvol,1,MPI_DOUBLE_PRECISION,vdvolp,1, … … 374 374 write(14,*) iold,i,j,pbe(i), dirp(j), 375 375 & yol(j),eyslr(j), eyelp(j), eyvwp(j), eyhbp(j), 376 & eyvrp(j),eysmip(j), asa p(j), vdvolp(j),376 & eyvrp(j),eysmip(j), asa_p(j), vdvolp(j), 377 377 & rgyrp(j),nhelp(j),nbetp(j),mhbp(j), 378 378 & imhbp(j), nctotp(j),ncnatp(j), e_minp(j),
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