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Fix shell C kernel symbol names for Fortran linkage (fderivs_sh_ etc.)

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Shell C functions must export Fortran-compatible symbols with trailing
underscore so bssn_rhs_ss.f90 and getnp4.f90 can link when WithShell is
active and USE_CXX_SHELL_KERNELS=1 replaces Fortran diff_new_sh.o.

Co-Authored-By: Claude Opus 4.7 <noreply@anthropic.com>
This commit is contained in:
CGH0S7
2026-05-14 14:09:16 +08:00
parent 547c62a116
commit c6e1a125b8
5 changed files with 24 additions and 33 deletions
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34
AMSS_NCKU_source/fdderivs_shc_c.C
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@@ -2,30 +2,22 @@
#include "share_func.h"
#include <cstddef>
/* Forward declarations */
void fderivs_sh(const int ex[3], const double *f,
double *fx, double *fy, double *fz,
const double *X, const double *Y, const double *Z,
double SYM1, double SYM2, double SYM3,
int Symmetry, int onoff, int sst);
void fdderivs_sh(const int ex[3], const double *f,
double *fxx, double *fxy, double *fxz,
double *fyy, double *fyz, double *fzz,
/* Forward declarations — Fortran-mangled names from shell C kernels */
extern "C" {
void fderivs_sh_(const int ex[3], const double *f,
double *fx, double *fy, double *fz,
const double *X, const double *Y, const double *Z,
double SYM1, double SYM2, double SYM3,
int Symmetry, int onoff, int sst);
/*
* fdderivs_shc — shell second derivatives converted to Cartesian via chain rule.
*
* Calls fderivs_sh and fdderivs_sh internally, then applies:
* f_{,ij} = sum_{a,b} (dx^a/dx^i)(dx^b/dx^j) f_{,ab} + sum_a (d^2 x^a/dx^i dx^j) f_{,a}
* where a,b ∈ {rho, sigma, R}.
*/
extern "C" {
void fdderivs_sh_(const int ex[3], const double *f,
double *fxx, double *fxy, double *fxz,
double *fyy, double *fyz, double *fzz,
const double *X, const double *Y, const double *Z,
double SYM1, double SYM2, double SYM3,
int Symmetry, int onoff, int sst);
void f_fdderivs_shc(int *ex,
void fdderivs_shc_(int *ex,
double *f,
double *fxx, double *fxy, double *fxz,
double *fyy, double *fyz, double *fzz,
@@ -60,8 +52,8 @@ void f_fdderivs_shc(int *ex,
return;
}
fderivs_sh(ex3, f, gx, gy, gz, crho, sigma, R, SYM1, SYM2, SYM3, Symmetry, Lev, sst);
fdderivs_sh(ex3, f, gxx, gxy, gxz, gyy, gyz, gzz, crho, sigma, R, SYM1, SYM2, SYM3, Symmetry, Lev, sst);
fderivs_sh_(ex3, f, gx, gy, gz, crho, sigma, R, SYM1, SYM2, SYM3, Symmetry, Lev, sst);
fdderivs_sh_(ex3, f, gxx, gxy, gxz, gyy, gyz, gzz, crho, sigma, R, SYM1, SYM2, SYM3, Symmetry, Lev, sst);
for (size_t i = 0; i < n; ++i) {
const double rx=drhodx[i], ry=drhody[i], rz=drhodz[i];