adding ebend_nucl to UCGM+some further reading

[unres4.git] / source / unres / md_calc.f90

diff --git a/source/unres/md_calc.f90 b/source/unres/md_calc.f90
index 50f23d7..8b8e04d 100644 (file)
--- a/source/unres/md_calc.f90
+++ b/source/unres/md_calc.f90
@@ -2213,7 +2213,7 @@
       Q = 0
 !     ********** ESTABLISH AND PROCESS NEXT SUBMATRIX **********
   100 P = Q + 1
-      IP = P + 1
+      IP(1) = P + 1
 !
       DO 120 Q = P, N
       IF (Q .EQ. N) GO TO 140
@@ -2236,7 +2236,7 @@
       GO TO 600
   160 NORM = ABS(D(P))
 !
-      DO 180 I = IP, Q
+      DO 180 I = IP(1), Q
   180 NORM = NORM + ABS(D(I)) + ABS(E(I))
 !     ********** EPS2 IS THE CRITERION FOR GROUPING,
 !                EPS3 REPLACES ZERO PIVOTS AND EQUAL
@@ -2327,7 +2327,7 @@
   460 RV6(I) = RV6(I) * XU
 !     ********** ELIMINATION OPERATIONS ON NEXT VECTOR
 !                ITERATE **********
-  480 DO 520 I = IP, Q
+  480 DO 520 I = IP(1), Q
       U = RV6(I)
 !     ********** IF RV1(I-1) .EQ. E(I), A ROW INTERCHANGE
 !                WAS PERFORMED EARLIER IN THE