update Tinker9 interface headers to reflect recent changes

Author: jayponder

interface/c/tinker/detail/freeze.hh

@@ -6,12 +6,15 @@
 extern "C" {
 #endif
 extern int TINKER_MOD(freeze, nrat);
+extern int TINKER_MOD(freeze, nwat4);
 extern int TINKER_MOD(freeze, nratx);
 extern int* TINKER_MOD(freeze, iratx);
 extern int* TINKER_MOD(freeze, kratx);
 extern int* TINKER_MOD(freeze, irat);
+extern int* TINKER_MOD(freeze, iwat4);
 extern double TINKER_MOD(freeze, rateps);
 extern double* TINKER_MOD(freeze, krat);
+extern double* TINKER_MOD(freeze, kwat4);
 extern int TINKER_MOD(freeze, use_rattle);
 extern int* TINKER_MOD(freeze, ratimage);
 #ifdef __cplusplus

interface/c/tinker/routines.h

@@ -2312,6 +2312,8 @@ void shake_(double* xold, double* yold, double* zold);
 #define tinker_f_shake shake_
 void shake2_(double* derivs);
 #define tinker_f_shake2 shake2_
+void water4_(double* derivs);
+#define tinker_f_water4 water4_
 
 // readcart.f
 void readcart_(int* ixyz, int* first);

interface/cpp/tinker/detail/freeze.hh

@@ -4,33 +4,42 @@
 
 namespace tinker { namespace freeze {
 extern int& nrat;
+extern int& nwat4;
 extern int& nratx;
 extern int*& iratx;
 extern int*& kratx;
 extern int*& irat;
+extern int*& iwat4;
 extern double& rateps;
 extern double*& krat;
+extern double*& kwat4;
 extern int& use_rattle;
 extern int*& ratimage;
 
 #ifdef TINKER_FORTRAN_MODULE_CPP
 extern "C" int TINKER_MOD(freeze, nrat);
+extern "C" int TINKER_MOD(freeze, nwat4);
 extern "C" int TINKER_MOD(freeze, nratx);
 extern "C" int* TINKER_MOD(freeze, iratx);
 extern "C" int* TINKER_MOD(freeze, kratx);
 extern "C" int* TINKER_MOD(freeze, irat);
+extern "C" int* TINKER_MOD(freeze, iwat4);
 extern "C" double TINKER_MOD(freeze, rateps);
 extern "C" double* TINKER_MOD(freeze, krat);
+extern "C" double* TINKER_MOD(freeze, kwat4);
 extern "C" int TINKER_MOD(freeze, use_rattle);
 extern "C" int* TINKER_MOD(freeze, ratimage);
 
 int& nrat = TINKER_MOD(freeze, nrat);
+int& nwat4 = TINKER_MOD(freeze, nwat4);
 int& nratx = TINKER_MOD(freeze, nratx);
 int*& iratx = TINKER_MOD(freeze, iratx);
 int*& kratx = TINKER_MOD(freeze, kratx);
 int*& irat = TINKER_MOD(freeze, irat);
+int*& iwat4 = TINKER_MOD(freeze, iwat4);
 double& rateps = TINKER_MOD(freeze, rateps);
 double*& krat = TINKER_MOD(freeze, krat);
+double*& kwat4 = TINKER_MOD(freeze, kwat4);
 int& use_rattle = TINKER_MOD(freeze, use_rattle);
 int*& ratimage = TINKER_MOD(freeze, ratimage);
 #endif

interface/cpp/tinker/routines.h

@@ -2312,6 +2312,8 @@ void shake_(double* xold, double* yold, double* zold);
 #define tinker_f_shake shake_
 void shake2_(double* derivs);
 #define tinker_f_shake2 shake2_
+void water4_(double* derivs);
+#define tinker_f_water4 water4_
 
 // readcart.f
 void readcart_(int* ixyz, int* first);