Merge branch 'devel' into feature-ga

[unres.git] / source / unres / src_MD / src / gauss.f

diff --git a/source/unres/src_MD/src/gauss.f b/source/unres/src_MD/src/gauss.f
deleted file mode 100644 (file)
index 7ba6e1d..0000000
--- a/source/unres/src_MD/src/gauss.f
+++ /dev/null
@@ -1,69 +0,0 @@
-      subroutine gauss(RO,AP,MT,M,N,*)
-c
-c CALCULATES (RO**(-1))*AP BY GAUSS ELIMINATION
-c RO IS A SQUARE MATRIX
-c THE CALCULATED PRODUCT IS STORED IN AP
-c ABNORMAL EXIT IF RO IS SINGULAR
-c       
-      integer MT, M, N, M1,I,J,IM,
-     & I1,MI,MI1    
-      double precision RO(MT,M),AP(MT,N),X,RM,PR,
-     &  Y  
-      if(M.ne.1)goto 10
-      X=RO(1,1)
-      if(dabs(X).le.1.0D-13) return 1
-      X=1.0/X
-      do 16 I=1,N
-16     AP(1,I)=AP(1,I)*X
-       return
-10     continue
-        M1=M-1
-        DO1 I=1,M1
-        IM=I
-        RM=DABS(RO(I,I))
-        I1=I+1
-        do 2 J=I1,M
-        if(DABS(RO(J,I)).LE.RM) goto 2
-        RM=DABS(RO(J,I))
-        IM=J
-2       continue
-        If(IM.eq.I)goto 17
-        do 3 J=1,N
-        PR=AP(I,J)
-        AP(I,J)=AP(IM,J)
-3       AP(IM,J)=PR
-        do 4 J=I,M
-        PR=RO(I,J)
-        RO(I,J)=RO(IM,J)
-4       RO(IM,J)=PR
-17      X=RO(I,I)
-        if(dabs(X).le.1.0E-13) return 1
-        X=1.0/X
-        do 5 J=1,N
-5       AP(I,J)=X*AP(I,J)
-        do 6 J=I1,M
-6       RO(I,J)=X*RO(I,J)
-        do 7 J=I1,M
-        Y=RO(J,I)
-        do 8 K=1,N
-8       AP(J,K)=AP(J,K)-Y*AP(I,K)
-        do 9 K=I1,M
-9       RO(J,K)=RO(J,K)-Y*RO(I,K)
-7       continue
-1       continue
-        X=RO(M,M)
-        if(dabs(X).le.1.0E-13) return 1
-        X=1.0/X
-        do 11 J=1,N
-11      AP(M,J)=X*AP(M,J)
-        do 12 I=1,M1
-        MI=M-I
-        MI1=MI+1
-        do 14 J=1,N
-        X=AP(MI,J)
-        do 15 K=MI1,M
-15      X=X-AP(K,J)*RO(MI,K)
-14      AP(MI,J)=X
-12      continue
-        return
-        end