F12 derivative integrals

sunqm · Nov 23, 2018 · 1a8e669 · 1a8e669
1 parent 92128f3
commit 1a8e669
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diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -1,6 +1,6 @@
 cmake_minimum_required (VERSION 2.6)
 project (qcint C)
-set(qcint_VERSION "3.0.13")
+set(qcint_VERSION "3.0.14")
 
 if ("${CMAKE_BUILD_TYPE}" STREQUAL "")
   set(CMAKE_BUILD_TYPE RELWITHDEBINFO)

diff --git a/ChangeLog b/ChangeLog
@@ -1,4 +1,6 @@
-Version 3.0.14  (2018-?-?):
+Version 3.0.14  (2018-11-22):
+	* F12 derivative integrals
+	* New 2c2e integral ( nabla nabla i | j )
 	* Bugfix for int3c1e_rinv type integrals
 Version 3.0.13  (2018-06-11):
 	* New integral < | r r r r | >

diff --git a/README.md b/README.md
@@ -3,9 +3,9 @@ qcint (quick libcint)
 
 An optimized libcint branch for X86 platform
 
-version 3.0.13
+version 3.0.14
 
-2018-06-11
+2018-11-22
 
 
 What is qcint

diff --git a/scripts/gen-code.cl b/scripts/gen-code.cl
@@ -408,7 +408,7 @@
            (op-len (length op-rev))
            (tot-bits (+ i-len j-len op-len))
            (goutinc (length flat-script)))
-      (format fout "static void CINTgout1e_~a" intname)
+      (format fout "void CINTgout1e_~a" intname)
       (format fout "(double *gout, double *g, int *idx, CINTEnvVars *envs, int count) {
 CINTg1e_ovlp(g, envs, count);
 int nf = envs->nf;
@@ -453,7 +453,7 @@ iz = idx[2+n*3];~%")
            (op-len (length op-rev))
            (tot-bits (+ i-len j-len op-len))
            (goutinc (length flat-script)))
-      (format fout "static void CINTgout1e_~a" intname)
+      (format fout "void CINTgout1e_~a" intname)
       (format fout "(double *gout, double *g, int *idx, CINTEnvVars *envs, int count) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -509,7 +509,7 @@ CINTsort_gout(gout, gout1, nfc, SIMDD);
            (op-len (length op-rev))
            (tot-bits (+ i-len j-len op-len))
            (goutinc (length flat-script)))
-      (format fout "static void CINTgout1e_~a" intname)
+      (format fout "void CINTgout1e_~a" intname)
       (format fout "(double *gout, double *g, int *idx, CINTEnvVars *envs, int count) {
 CINTg1e_nuc(g, envs, count, -1);
 int nf = envs->nf;
@@ -791,7 +791,7 @@ for (i = 0; i < nrys_roots; i++) {~%" (expt 3 tot-bits))
            (l-len (length l-rev))
            (tot-bits (+ i-len j-len op-len k-len l-len))
            (goutinc (length flat-script)))
-      (format fout "static void CINTgout2e_~a(double *RESTRICT gout,
+      (format fout "void CINTgout2e_~a(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {~%" intname)
       (format fout "int nf = envs->nf;
 int nfc = nf * ~a;~%" goutinc)
@@ -863,7 +863,7 @@ for (ix = 0; ix < envs->g_size * 3 * SIMDD; ix++) {g~a[ix] += g~a[ix];}~%"))
            (l-len (length l-rev))
            (tot-bits (+ i-len j-len op-len k-len l-len))
            (goutinc (length flat-script)))
-      (format fout "static void CINTgout2e_~a_simd1(double *RESTRICT gout,
+      (format fout "void CINTgout2e_~a_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {~%" intname)
       (format fout "int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;

diff --git a/src/autocode/breit1.c b/src/autocode/breit1.c
@@ -34,7 +34,7 @@
 #include "c2f.h"
 /* <k i|BREIT-R1 |R0 SIGMA DOT P j SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (i R0 SIGMA DOT P j|BREIT-R1 |k SIGMA DOT P l) */
-static void CINTgout2e_int2e_gauge_r1_ssp1ssp2(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r1_ssp1ssp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -184,7 +184,7 @@ r1 = + rs[54] - rs[6] + rs[64] - rs[16] + rs[74] - rs[26]; GOUT_SCATTER(gout, n*
 r1 = + rs[3] - rs[27] + rs[13] - rs[37] + rs[23] - rs[47]; GOUT_SCATTER(gout, n*16+14, r1);
 r1 = + rs[0] + rs[30] + rs[60] + rs[10] + rs[40] + rs[70] + rs[20] + rs[50] + rs[80]; GOUT_SCATTER(gout, n*16+15, r1);
 }}
-static void CINTgout2e_int2e_gauge_r1_ssp1ssp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r1_ssp1ssp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -368,7 +368,7 @@ ALL_CINT(int2e_gauge_r1_ssp1ssp2)
 //ALL_CINT_FORTRAN_(cint2e_gauge_r1_ssp1ssp2)
 /* <SIGMA DOT P k i|BREIT-R1 |R0 SIGMA DOT P j l> : i,j \in electron 1; k,l \in electron 2
  * = (i R0 SIGMA DOT P j|BREIT-R1 |SIGMA DOT P k l) */
-static void CINTgout2e_int2e_gauge_r1_ssp1sps2(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r1_ssp1sps2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -518,7 +518,7 @@ r1 = - rs[54] + rs[6] - rs[64] + rs[16] - rs[74] + rs[26]; GOUT_SCATTER(gout, n*
 r1 = - rs[3] + rs[27] - rs[13] + rs[37] - rs[23] + rs[47]; GOUT_SCATTER(gout, n*16+14, r1);
 r1 = - rs[0] - rs[30] - rs[60] - rs[10] - rs[40] - rs[70] - rs[20] - rs[50] - rs[80]; GOUT_SCATTER(gout, n*16+15, r1);
 }}
-static void CINTgout2e_int2e_gauge_r1_ssp1sps2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r1_ssp1sps2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -702,7 +702,7 @@ ALL_CINT(int2e_gauge_r1_ssp1sps2)
 //ALL_CINT_FORTRAN_(cint2e_gauge_r1_ssp1sps2)
 /* <k SIGMA DOT P i|BREIT-R1 |R0 j SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (SIGMA DOT P i R0 j|BREIT-R1 |k SIGMA DOT P l) */
-static void CINTgout2e_int2e_gauge_r1_sps1ssp2(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r1_sps1ssp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -852,7 +852,7 @@ r1 = - rs[54] + rs[18] - rs[58] + rs[22] - rs[62] + rs[26]; GOUT_SCATTER(gout, n
 r1 = - rs[9] + rs[27] - rs[13] + rs[31] - rs[17] + rs[35]; GOUT_SCATTER(gout, n*16+14, r1);
 r1 = - rs[0] - rs[36] - rs[72] - rs[4] - rs[40] - rs[76] - rs[8] - rs[44] - rs[80]; GOUT_SCATTER(gout, n*16+15, r1);
 }}
-static void CINTgout2e_int2e_gauge_r1_sps1ssp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r1_sps1ssp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -1036,7 +1036,7 @@ ALL_CINT(int2e_gauge_r1_sps1ssp2)
 //ALL_CINT_FORTRAN_(cint2e_gauge_r1_sps1ssp2)
 /* <SIGMA DOT P k SIGMA DOT P i|BREIT-R1 |R0 j l> : i,j \in electron 1; k,l \in electron 2
  * = (SIGMA DOT P i R0 j|BREIT-R1 |SIGMA DOT P k l) */
-static void CINTgout2e_int2e_gauge_r1_sps1sps2(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r1_sps1sps2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -1186,7 +1186,7 @@ r1 = + rs[54] - rs[18] + rs[58] - rs[22] + rs[62] - rs[26]; GOUT_SCATTER(gout, n
 r1 = + rs[9] - rs[27] + rs[13] - rs[31] + rs[17] - rs[35]; GOUT_SCATTER(gout, n*16+14, r1);
 r1 = + rs[0] + rs[36] + rs[72] + rs[4] + rs[40] + rs[76] + rs[8] + rs[44] + rs[80]; GOUT_SCATTER(gout, n*16+15, r1);
 }}
-static void CINTgout2e_int2e_gauge_r1_sps1sps2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r1_sps1sps2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -1370,7 +1370,7 @@ ALL_CINT(int2e_gauge_r1_sps1sps2)
 //ALL_CINT_FORTRAN_(cint2e_gauge_r1_sps1sps2)
 /* <k i|BREIT-R2 |SIGMA DOT P j R0 SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (i SIGMA DOT P j|BREIT-R2 |k R0 SIGMA DOT P l) */
-static void CINTgout2e_int2e_gauge_r2_ssp1ssp2(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r2_ssp1ssp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -1524,7 +1524,7 @@ r1 = + rs[54] - rs[18] + rs[58] - rs[22] + rs[62] - rs[26]; GOUT_SCATTER(gout, n
 r1 = + rs[9] - rs[27] + rs[13] - rs[31] + rs[17] - rs[35]; GOUT_SCATTER(gout, n*16+14, r1);
 r1 = + rs[0] + rs[36] + rs[72] + rs[4] + rs[40] + rs[76] + rs[8] + rs[44] + rs[80]; GOUT_SCATTER(gout, n*16+15, r1);
 }}
-static void CINTgout2e_int2e_gauge_r2_ssp1ssp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r2_ssp1ssp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -1712,7 +1712,7 @@ ALL_CINT(int2e_gauge_r2_ssp1ssp2)
 //ALL_CINT_FORTRAN_(cint2e_gauge_r2_ssp1ssp2)
 /* <SIGMA DOT P k i|BREIT-R2 |SIGMA DOT P j R0 l> : i,j \in electron 1; k,l \in electron 2
  * = (i SIGMA DOT P j|BREIT-R2 |SIGMA DOT P k R0 l) */
-static void CINTgout2e_int2e_gauge_r2_ssp1sps2(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r2_ssp1sps2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -1866,7 +1866,7 @@ r1 = - rs[54] + rs[18] - rs[58] + rs[22] - rs[62] + rs[26]; GOUT_SCATTER(gout, n
 r1 = - rs[9] + rs[27] - rs[13] + rs[31] - rs[17] + rs[35]; GOUT_SCATTER(gout, n*16+14, r1);
 r1 = - rs[0] - rs[36] - rs[72] - rs[4] - rs[40] - rs[76] - rs[8] - rs[44] - rs[80]; GOUT_SCATTER(gout, n*16+15, r1);
 }}
-static void CINTgout2e_int2e_gauge_r2_ssp1sps2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r2_ssp1sps2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -2054,7 +2054,7 @@ ALL_CINT(int2e_gauge_r2_ssp1sps2)
 //ALL_CINT_FORTRAN_(cint2e_gauge_r2_ssp1sps2)
 /* <k SIGMA DOT P i|BREIT-R2 |j R0 SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (SIGMA DOT P i j|BREIT-R2 |k R0 SIGMA DOT P l) */
-static void CINTgout2e_int2e_gauge_r2_sps1ssp2(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r2_sps1ssp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -2208,7 +2208,7 @@ r1 = - rs[54] + rs[18] - rs[58] + rs[22] - rs[62] + rs[26]; GOUT_SCATTER(gout, n
 r1 = - rs[9] + rs[27] - rs[13] + rs[31] - rs[17] + rs[35]; GOUT_SCATTER(gout, n*16+14, r1);
 r1 = - rs[0] - rs[36] - rs[72] - rs[4] - rs[40] - rs[76] - rs[8] - rs[44] - rs[80]; GOUT_SCATTER(gout, n*16+15, r1);
 }}
-static void CINTgout2e_int2e_gauge_r2_sps1ssp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r2_sps1ssp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -2396,7 +2396,7 @@ ALL_CINT(int2e_gauge_r2_sps1ssp2)
 //ALL_CINT_FORTRAN_(cint2e_gauge_r2_sps1ssp2)
 /* <SIGMA DOT P k SIGMA DOT P i|BREIT-R2 |j R0 l> : i,j \in electron 1; k,l \in electron 2
  * = (SIGMA DOT P i j|BREIT-R2 |SIGMA DOT P k R0 l) */
-static void CINTgout2e_int2e_gauge_r2_sps1sps2(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r2_sps1sps2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -2550,7 +2550,7 @@ r1 = + rs[54] - rs[18] + rs[58] - rs[22] + rs[62] - rs[26]; GOUT_SCATTER(gout, n
 r1 = + rs[9] - rs[27] + rs[13] - rs[31] + rs[17] - rs[35]; GOUT_SCATTER(gout, n*16+14, r1);
 r1 = + rs[0] + rs[36] + rs[72] + rs[4] + rs[40] + rs[76] + rs[8] + rs[44] + rs[80]; GOUT_SCATTER(gout, n*16+15, r1);
 }}
-static void CINTgout2e_int2e_gauge_r2_sps1sps2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_gauge_r2_sps1sps2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;

diff --git a/src/autocode/dkb.c b/src/autocode/dkb.c
@@ -33,7 +33,7 @@
 #include "misc.h"
 #include "c2f.h"
 /* <SIGMA DOT P i|OVLP |SIGMA DOT P SIGMA DOT P j> */
-static void CINTgout1e_int1e_spspsp(double *gout, double *g, int *idx, CINTEnvVars *envs, int count) {
+void CINTgout1e_int1e_spspsp(double *gout, double *g, int *idx, CINTEnvVars *envs, int count) {
 CINTg1e_ovlp(g, envs, count);
 int nf = envs->nf;
 int nfc = nf * 4;
@@ -123,7 +123,7 @@ return CINT1e_spinor_drv(out, dims, &envs, opt, cache, &c2s_si_1e);
 ALL_CINT1E(int1e_spspsp)
 //ALL_CINT1E_FORTRAN_(cint1e_spspsp)
 /* <SIGMA DOT P i|NUC |j> */
-static void CINTgout1e_int1e_spnuc(double *gout, double *g, int *idx, CINTEnvVars *envs, int count) {
+void CINTgout1e_int1e_spnuc(double *gout, double *g, int *idx, CINTEnvVars *envs, int count) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
 int nfc = nf * 4;
@@ -186,7 +186,7 @@ ALL_CINT1E(int1e_spnuc)
 //ALL_CINT1E_FORTRAN_(cint1e_spnuc)
 /* <k SIGMA DOT P i|R12 |j l> : i,j \in electron 1; k,l \in electron 2
  * = (SIGMA DOT P i j|R12 |k l) */
-static void CINTgout2e_int2e_spv1(double *RESTRICT gout,
+void CINTgout2e_int2e_spv1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 4;
@@ -253,7 +253,7 @@ r1 = + rs[1]; GOUT_SCATTER(gout, n*4+1, r1);
 r1 = + rs[2]; GOUT_SCATTER(gout, n*4+2, r1);
 GOUT_SCATTER(gout, n*4+3, MM_SET1(0.));
 }}
-static void CINTgout2e_int2e_spv1_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_spv1_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -334,7 +334,7 @@ ALL_CINT(int2e_spv1)
 //ALL_CINT_FORTRAN_(cint2e_spv1)
 /* <k i|R12 |SIGMA DOT P j l> : i,j \in electron 1; k,l \in electron 2
  * = (i SIGMA DOT P j|R12 |k l) */
-static void CINTgout2e_int2e_vsp1(double *RESTRICT gout,
+void CINTgout2e_int2e_vsp1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 4;
@@ -401,7 +401,7 @@ r1 = - rs[1]; GOUT_SCATTER(gout, n*4+1, r1);
 r1 = - rs[2]; GOUT_SCATTER(gout, n*4+2, r1);
 GOUT_SCATTER(gout, n*4+3, MM_SET1(0.));
 }}
-static void CINTgout2e_int2e_vsp1_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_vsp1_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -482,7 +482,7 @@ ALL_CINT(int2e_vsp1)
 //ALL_CINT_FORTRAN_(cint2e_vsp1)
 /* <SIGMA DOT P k i|R12 |j SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (i j|R12 |SIGMA DOT P k SIGMA DOT P l) */
-static void CINTgout2e_int2e_spsp2(double *RESTRICT gout,
+void CINTgout2e_int2e_spsp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 4;
@@ -619,7 +619,7 @@ r1 = + rs[6] - rs[2]; GOUT_SCATTER(gout, n*4+1, r1);
 r1 = + rs[1] - rs[3]; GOUT_SCATTER(gout, n*4+2, r1);
 r1 = + rs[0] + rs[4] + rs[8]; GOUT_SCATTER(gout, n*4+3, r1);
 }}
-static void CINTgout2e_int2e_spsp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_spsp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -688,7 +688,7 @@ ALL_CINT(int2e_spsp2)
 //ALL_CINT_FORTRAN_(cint2e_spsp2)
 /* <SIGMA DOT P k SIGMA DOT P i|R12 |j l> : i,j \in electron 1; k,l \in electron 2
  * = (SIGMA DOT P i j|R12 |SIGMA DOT P k l) */
-static void CINTgout2e_int2e_spv1spv2(double *RESTRICT gout,
+void CINTgout2e_int2e_spv1spv2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -837,7 +837,7 @@ GOUT_SCATTER(gout, n*16+13, MM_SET1(0.));
 GOUT_SCATTER(gout, n*16+14, MM_SET1(0.));
 GOUT_SCATTER(gout, n*16+15, MM_SET1(0.));
 }}
-static void CINTgout2e_int2e_spv1spv2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_spv1spv2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -918,7 +918,7 @@ ALL_CINT(int2e_spv1spv2)
 //ALL_CINT_FORTRAN_(cint2e_spv1spv2)
 /* <SIGMA DOT P k i|R12 |SIGMA DOT P j l> : i,j \in electron 1; k,l \in electron 2
  * = (i SIGMA DOT P j|R12 |SIGMA DOT P k l) */
-static void CINTgout2e_int2e_vsp1spv2(double *RESTRICT gout,
+void CINTgout2e_int2e_vsp1spv2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -1067,7 +1067,7 @@ GOUT_SCATTER(gout, n*16+13, MM_SET1(0.));
 GOUT_SCATTER(gout, n*16+14, MM_SET1(0.));
 GOUT_SCATTER(gout, n*16+15, MM_SET1(0.));
 }}
-static void CINTgout2e_int2e_vsp1spv2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_vsp1spv2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -1148,7 +1148,7 @@ ALL_CINT(int2e_vsp1spv2)
 //ALL_CINT_FORTRAN_(cint2e_vsp1spv2)
 /* <k SIGMA DOT P i|R12 |j SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (SIGMA DOT P i j|R12 |k SIGMA DOT P l) */
-static void CINTgout2e_int2e_spv1vsp2(double *RESTRICT gout,
+void CINTgout2e_int2e_spv1vsp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -1297,7 +1297,7 @@ GOUT_SCATTER(gout, n*16+13, MM_SET1(0.));
 GOUT_SCATTER(gout, n*16+14, MM_SET1(0.));
 GOUT_SCATTER(gout, n*16+15, MM_SET1(0.));
 }}
-static void CINTgout2e_int2e_spv1vsp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_spv1vsp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -1378,7 +1378,7 @@ ALL_CINT(int2e_spv1vsp2)
 //ALL_CINT_FORTRAN_(cint2e_spv1vsp2)
 /* <k i|R12 |SIGMA DOT P j SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (i SIGMA DOT P j|R12 |k SIGMA DOT P l) */
-static void CINTgout2e_int2e_vsp1vsp2(double *RESTRICT gout,
+void CINTgout2e_int2e_vsp1vsp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -1527,7 +1527,7 @@ GOUT_SCATTER(gout, n*16+13, MM_SET1(0.));
 GOUT_SCATTER(gout, n*16+14, MM_SET1(0.));
 GOUT_SCATTER(gout, n*16+15, MM_SET1(0.));
 }}
-static void CINTgout2e_int2e_vsp1vsp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_vsp1vsp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -1608,7 +1608,7 @@ ALL_CINT(int2e_vsp1vsp2)
 //ALL_CINT_FORTRAN_(cint2e_vsp1vsp2)
 /* <SIGMA DOT P k SIGMA DOT P i|R12 |j SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (SIGMA DOT P i j|R12 |SIGMA DOT P k SIGMA DOT P l) */
-static void CINTgout2e_int2e_spv1spsp2(double *RESTRICT gout,
+void CINTgout2e_int2e_spv1spsp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -1683,7 +1683,7 @@ r1 = + rs[9] + rs[13] + rs[17]; GOUT_SCATTER(gout, n*16+13, r1);
 r1 = + rs[18] + rs[22] + rs[26]; GOUT_SCATTER(gout, n*16+14, r1);
 GOUT_SCATTER(gout, n*16+15, MM_SET1(0.));
 }}
-static void CINTgout2e_int2e_spv1spsp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_spv1spsp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;
@@ -1790,7 +1790,7 @@ ALL_CINT(int2e_spv1spsp2)
 //ALL_CINT_FORTRAN_(cint2e_spv1spsp2)
 /* <SIGMA DOT P k i|R12 |SIGMA DOT P j SIGMA DOT P l> : i,j \in electron 1; k,l \in electron 2
  * = (i SIGMA DOT P j|R12 |SIGMA DOT P k SIGMA DOT P l) */
-static void CINTgout2e_int2e_vsp1spsp2(double *RESTRICT gout,
+void CINTgout2e_int2e_vsp1spsp2(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nfc = nf * 16;
@@ -1865,7 +1865,7 @@ r1 = - rs[9] - rs[13] - rs[17]; GOUT_SCATTER(gout, n*16+13, r1);
 r1 = - rs[18] - rs[22] - rs[26]; GOUT_SCATTER(gout, n*16+14, r1);
 GOUT_SCATTER(gout, n*16+15, MM_SET1(0.));
 }}
-static void CINTgout2e_int2e_vsp1spsp2_simd1(double *RESTRICT gout,
+void CINTgout2e_int2e_vsp1spsp2_simd1(double *RESTRICT gout,
 double *RESTRICT g, int *RESTRICT idx, CINTEnvVars *envs) {
 int nf = envs->nf;
 int nrys_roots = envs->nrys_roots;