update linalg for ML-QUIP

2024-11-09 04:04:52 -05:00
parent 324e795237
commit a1a2a54f72
69 changed files with 15699 additions and 0 deletions
--- a/lib/linalg/izamax.cpp
+++ b/lib/linalg/izamax.cpp
@ -0,0 +1,46 @@
+#ifdef __cplusplus
+extern "C" {
+#endif
+#include "lmp_f2c.h"
+integer izamax_(integer *n, doublecomplex *zx, integer *incx)
+{
+    integer ret_val, i__1;
+    integer i__, ix;
+    doublereal dmax__;
+    extern doublereal dcabs1_(doublecomplex *);
+    --zx;
+    ret_val = 0;
+    if (*n < 1 || *incx <= 0) {
+        return ret_val;
+    }
+    ret_val = 1;
+    if (*n == 1) {
+        return ret_val;
+    }
+    if (*incx == 1) {
+        dmax__ = dcabs1_(&zx[1]);
+        i__1 = *n;
+        for (i__ = 2; i__ <= i__1; ++i__) {
+            if (dcabs1_(&zx[i__]) > dmax__) {
+                ret_val = i__;
+                dmax__ = dcabs1_(&zx[i__]);
+            }
+        }
+    } else {
+        ix = 1;
+        dmax__ = dcabs1_(&zx[1]);
+        ix += *incx;
+        i__1 = *n;
+        for (i__ = 2; i__ <= i__1; ++i__) {
+            if (dcabs1_(&zx[ix]) > dmax__) {
+                ret_val = i__;
+                dmax__ = dcabs1_(&zx[ix]);
+            }
+            ix += *incx;
+        }
+    }
+    return ret_val;
+}
+#ifdef __cplusplus
+}
+#endif