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Additional unused variables taken out
This commit is contained in:
Theresa Windus
parent
1644f400c3
commit
2af794dbe8
10 changed files with 57 additions and 28 deletions
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@ -1,6 +1,6 @@
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subroutine ccsd_driver( rtdb, geom, basis, movecs_in,
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$ oconverged)
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C $Id: ccsd_driver.F,v 2.32 2000-10-26 19:22:45 edo Exp $
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C $Id: ccsd_driver.F,v 2.33 2000-10-30 21:37:50 windus Exp $
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implicit none
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#include "mafdecls.fh"
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#include "global.fh"
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@ -440,7 +440,7 @@ c
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integer g_EPair, Alo, Ahi, Ijlo, Ijhi, ld,
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$ idum2, idum3, idum4, idum5, idum6
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double precision a(Alo:Alo+ld-1,ijlo:ijhi), EMP2
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integer i, j
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integer j
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do j=ijlo,ijhi
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emp2 = emp2 + a(alo,J)
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enddo
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@ -1,6 +1,6 @@
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subroutine riscf_fock_2e(geom1, ao_basis, ri_basis, nfock,
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$ fcoul, fexch, tol2e1, oskeleton, g_dens, g_fock)
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C$Id: riscf_fock.F,v 1.12 2000-10-23 15:51:39 windus Exp $
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C$Id: riscf_fock.F,v 1.13 2000-10-30 21:37:51 windus Exp $
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C calculate the coulomb and exchange contribution to the Fock matrix
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C from the density matrix and the transformed three-center ERIs
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@ -32,11 +32,13 @@ C g_three can be GA or DA handle !!!
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integer Nff, nsh, lsq, lhalf, npair, n_t, nt, nocc, in, il,
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$ l_indx, k_indx, l_three, k_three, l_sthree, k_sthree,
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$ ifirst, ifirst1, ifirst2, ilast, ilast1, ilast2, ifk, mxbf,
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$ mxints, nloop, nrest, nproc, nt_dim, req, ic,
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$ g_three_io, first_t, last_t, num_t, istat, iarray, iarray2,
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$ g_three_sq, next_t
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$ mxints, nloop, nrest, nproc, nt_dim, ic, last_t, g_three_sq
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#ifdef RISCF_USE_DRA
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integer req, g_three_io, first_t, num_t, istat, iarray,
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$ iarray2, next_t
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dimension g_three_io(2), req(2)
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#endif
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double precision mone, zero, one, sq2, W, factor
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@ -1,6 +1,6 @@
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logical function riscf_init (rtdb, geom, ao_basis, ri_basis,
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$ tol2e)
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C$Id: riscf_init.F,v 1.14 2000-02-04 20:06:53 mg201 Exp $
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C$Id: riscf_init.F,v 1.15 2000-10-30 21:37:51 windus Exp $
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C calculate three center ERIs, transform them with V**(-1/2)
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C (V-approximation: V(i,j)=(i|j))
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@ -35,11 +35,14 @@ C
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integer k_T_tmp, l_T_tmp, k_V_row, l_V_row, nsh, nsh_F, npair,
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$ nsqhalf, nbf, Nff, lbuf, l_buf, k_buf, l_scr, k_scr, lscr,
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$ max_bf_ao, max_bf_ri, g_three, istat, nstore
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$ max_bf_ao, max_bf_ri, g_three, nstore
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C g_three is either GA or DA handle for transformed integrals
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C (depending on odisk)
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#ifdef RISCF_USE_DRA
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integer istat
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character*64 filename
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#endif
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C
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logical int_normalize
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external int_normalize
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@ -1,5 +1,5 @@
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subroutine riscf_tidy ( geom, basis, riscf_basis )
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C$Id: riscf_tidy.F,v 1.5 1996-10-03 23:54:46 vg038 Exp $
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C$Id: riscf_tidy.F,v 1.6 2000-10-30 21:37:51 windus Exp $
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implicit none
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#include "geom.fh"
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@ -15,7 +15,9 @@ c and destroys basis and geometry (and DAs)
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c
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integer geom, basis, riscf_basis
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#ifdef RISCF_USE_DRA
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integer istat
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#endif
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logical status, riscf_del_3c_ints
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status = riscf_del_3c_ints(-1)
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@ -2,7 +2,7 @@
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$ bfsquare, npair, ri_basis, nsh_F, Nff, max_bf_ri, g_Vsqrt,
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$ tol2e, g_indx, V_row, T_tmp, buf, lbuf, scr, lscr, odisk)
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C$Id: riscf_trans.F,v 1.6 1999-06-16 00:10:14 d3e129 Exp $
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C$Id: riscf_trans.F,v 1.7 2000-10-30 21:37:51 windus Exp $
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implicit none
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#include "mafdecls.fh"
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@ -29,8 +29,11 @@ C$Id: riscf_trans.F,v 1.6 1999-06-16 00:10:14 d3e129 Exp $
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integer icount, i, j, ifirst, ilast, jfirst, jlast, nfi, nfj, nfs,
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$ ij, nij, next, indx, nproc, ic, is, nsqhalf, ndone, g_tmp,
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$ req, ! request handle for dra
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$ mycount, istat
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$ mycount
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#ifdef RISCF_USE_DRA
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integer istat, req
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#endif
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logical status, IeqJ
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@ -1,4 +1,4 @@
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/*$Id: rtdb_seq.c,v 1.13 1999-11-13 03:04:57 bjohnson Exp $*/
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/*$Id: rtdb_seq.c,v 1.14 2000-10-30 21:37:52 windus Exp $*/
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#include <stdlib.h>
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#include <sys/types.h>
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#include <stdio.h>
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@ -428,7 +428,11 @@ int rtdb_seq_first(const int handle, const int namelen, char *name)
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hdbm db;
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#endif
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int status;
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DBT key, value;
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DBT key;
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#ifdef USE_DB
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DBT value;
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#endif
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if (!check_handle(handle)) {
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(void) fprintf(stderr, "rdtb_first: handle (%d) is invalid\n", handle);
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@ -492,9 +496,13 @@ int rtdb_seq_delete(const int handle, const char *name)
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hdbm db = rtdb[handle].db;
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#endif
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DBT key, info_key;
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int flags = 0, status;
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int status;
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char info_buf[256];
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#ifdef USE_DB
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int flags = 0;
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#endif
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if (!check_handle(handle)) {
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(void) fprintf(stderr, "rdtb_delete: handle (%d) is invalid\n", handle);
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return 0;
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@ -552,7 +560,11 @@ int rtdb_seq_next(const int handle, const int namelen, char *name)
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hdbm db = rtdb[handle].db;
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#endif
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int status;
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DBT key, value;
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DBT key;
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#ifdef USE_DB
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DBT value;
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#endif
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if (!check_handle(handle)) {
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(void) fprintf(stderr, "rdtb_close: handle (%d) is invalid\n", handle);
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@ -1,5 +1,5 @@
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/*
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$Id: couple.c,v 1.8 1999-11-13 03:09:06 bjohnson Exp $
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$Id: couple.c,v 1.9 2000-10-30 21:37:52 windus Exp $
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*/
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#include <math.h>
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@ -321,7 +321,12 @@ static void MakeAxialDistances(int ns, int f[nsmax+1][nfmax+1],
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g[j][i] = sqrt(1-p[j][i]^2)
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*/
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{
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int i, j, k, jb, test;
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int i, j, k, jb;
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#ifdef DEBUG
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int test;
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#endif
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for (i=1; i<=nf; i++) {
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for (j=1; j<ns; j++) {
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@ -1,6 +1,6 @@
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subroutine ga_local_mdot(n, nva, nvb, c, ldc, g_a, g_b)
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*
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* $Id: ga_local_mdot.F,v 1.4 2000-10-26 19:21:44 edo Exp $
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* $Id: ga_local_mdot.F,v 1.5 2000-10-30 21:37:52 windus Exp $
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*
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implicit none
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#include "global.fh"
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@ -15,10 +15,10 @@ c
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c A and B identically distributed down the columns. All
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c of the second index local for both
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c
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integer ailo, aihi, ajlo, ajhi, aind, ald, aoff
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integer bilo, bihi, bjlo, bjhi, bind, bld, boff
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integer i, j, k, ij, kdim
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double precision sum, work(2500)
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integer ailo, aihi, ajlo, ajhi, aind, ald
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integer bilo, bihi, bjlo, bjhi, bind, bld
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integer i, j, ij
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double precision work(2500)
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c
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call ga_distribution(g_a, ga_nodeid(), ailo, aihi, ajlo, ajhi)
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call ga_distribution(g_b, ga_nodeid(), bilo, bihi, bjlo, bjhi)
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@ -3,7 +3,7 @@ C NAME
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C GA_MatPow -- Form V^{-1/2}
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C
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C REVISION
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C $Id: ga_matpow.F,v 1.8 1998-02-02 16:00:45 bernhold Exp $
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C $Id: ga_matpow.F,v 1.9 2000-10-30 21:37:52 windus Exp $
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C
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C SYNOPSIS
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Subroutine GA_MatPow(G_V, Pow, MinEval)
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@ -55,7 +55,10 @@ C LOCAL VARIABLES
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Integer H_Eval, Eval_Idx
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Integer D, DiagLo, DiagHi
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Integer G_EV, G_Tmp
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Integer I, J, G_Junk, VType, Rows, Cols, ILo, IHi, JLo, JHi
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Integer I, J, VType, Rows, Cols, ILo, IHi, JLo, JHi
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#if defined(USE_GEN_DIAG)
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Integer G_Junk
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#endif
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Double precision Elem
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C
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C ***************************
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@ -1,5 +1,5 @@
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subroutine ga_screen(g_a, value)
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C$Id: ga_screen.F,v 1.5 2000-10-26 19:21:44 edo Exp $
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C$Id: ga_screen.F,v 1.6 2000-10-30 21:37:52 windus Exp $
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implicit none
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#include "mafdecls.fh"
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#include "global.fh"
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@ -11,8 +11,7 @@ c
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c set all elements whose absolute value is less than
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c value to a hard zero
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c
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integer ilo, ihi, jlo, jhi, idim, jdim, ld
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integer i, j, ij, ind
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integer ilo, ihi, jlo, jhi
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integer ga_screenb
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external ga_screenb
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c
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