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fix uninitialized data

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to avoid segfaults on fedora 43/aarch64
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edoapra 2025-10-24 11:17:26 -07:00
parent 147e96faa2
commit 5f9656e8fa
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GPG key ID: 9E6A0B70826967BA
1 changed files with 14 additions and 7 deletions
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21
src/solvation/gepol_lib.F
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@ -467,7 +467,8 @@ c & ,ASS1,LPR)
C
C Read COOR File
c CALL READCOOR(COOF,NATOM,LABEL,GHOST,LPR)
c Atom coordinates from arguments and not from file
c Atom coordinates from arguments and not from file
ghost=.false.
do i=1,natom
xe(i)=xyzatm(1,i)
ye(i)=xyzatm(2,i)
@ -1031,7 +1032,8 @@ C ------------------------------------------------------------------
NP=0
C begin
C begin
nejci=0
NTRIAN=4**(NDIV-1)
FNDIV=60*NTRIAN
@ -1053,6 +1055,7 @@ C It determines which spheres are linked to sphere I
IF(IUSE(J).GE.3) THEN
IF(I.NE.J)THEN
if(j.ge.mc) call errquit('gepol: fix mc size',j,0)
DIJ2=(XEI-XE(J))*(XEI-XE(J))+
& (YEI-YE(J))*(YEI-YE(J))+
@ -1060,7 +1063,8 @@ C It determines which spheres are linked to sphere I
SRE2=(REI+RE(J))*(REI+RE(J))
IF(DIJ2.LT.SRE2) THEN
IIJ=IIJ+1
IIJ=IIJ+1
if(iij.ge.mc) call errquit('gepol: fix mc size',iij,0)
IJE(IIJ)=J
NEJCI=IIJ
END IF
@ -1068,7 +1072,6 @@ C It determines which spheres are linked to sphere I
END IF
END IF
END DO
C
C It selects one main triangle.
NSUP=0
@ -1093,7 +1096,7 @@ C
C It fixes if the secondary triangle is inside or outside.
L1=UN3
DO N3=L1,NEJCI
UN3=N3
UN3=N3
N4=IJE(N3)
DD=(XSM-XE(N4))*(XSM-XE(N4))+
& (YSM-YE(N4))*(YSM-YE(N4))+
@ -1121,6 +1124,7 @@ c
c In case we want all secondary triangles
if(.not.rgrp) then
NP=NP+1
if(np.ge.mv) call errquit('gepol: fix mv size',np,0)
XP(NP)=XSL+XEI
YP(NP)=YSL+YEI
ZP(NP)=ZSL+ZEI
@ -1201,7 +1205,7 @@ C --------------------------------------------------------------
COMMON/PUN/ITO(MV),ISO(MV),ISA(MV),XP(MV),YP(MV),ZP(MV),AP(MV)
DIMENSION TIT(20)
FDR=0e0
IF(LPR)WRITE(6,'(/A)')' ===> Start Subroutine PRIVEC '
WRITE(6,'(A/1X,A)')' Printing vectors in file:',VECF
@ -1593,7 +1597,10 @@ C ---------------------------------------------------------------------
COMMON/PUN/ITO(MV),ISO(MV),ISA(MV),XP(MV),YP(MV),ZP(MV),AP(MV)
IF(LPR)WRITE(6,'(/A)')' ===> Start Subroutine VOLARE '
REJ=0e0
XEJ=0e0
YEJ=0e0
ZEJ=0e0
STOT=0.0E0
VOL=0.0E0