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4 changes: 2 additions & 2 deletions .github/workflows/merge-gate.yml
Original file line number Diff line number Diff line change
Expand Up @@ -53,7 +53,7 @@ jobs:
sudo apt-get install cmake-data cmake

- name: Checkout source code
uses: actions/checkout@v2
uses: actions/checkout@v4

- name: Compile and test cpptraj
shell: bash -lex {0}
Expand Down Expand Up @@ -137,7 +137,7 @@ jobs:
sudo apt-get install libfftw3-dev
sudo apt-get install clang
sudo apt-get install cmake-data cmake
- uses: actions/checkout@v3
- uses: actions/checkout@v4
- name: Set up Python 3.10
uses: actions/setup-python@v5
with:
Expand Down
2 changes: 1 addition & 1 deletion doc/cpptraj.lyx
Original file line number Diff line number Diff line change
Expand Up @@ -14812,7 +14812,7 @@ change [parm <name> | parmindex <#> | <#> |
\end_layout

\begin_layout LyX-Code
bondparm <make1> [<mask2>] {setrk|scalerk|setreq|scalereq} <value>
bondparm <mask1> [<mask2>] {setrk|scalerk|setreq|scalereq} <value>
|
\end_layout

Expand Down
2 changes: 1 addition & 1 deletion src/Version.h
Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@
* Whenever a number that precedes <revision> is incremented, all subsequent
* numbers should be reset to 0.
*/
#define CPPTRAJ_INTERNAL_VERSION "V6.22.2"
#define CPPTRAJ_INTERNAL_VERSION "V6.22.3"
/// PYTRAJ relies on this
#define CPPTRAJ_VERSION_STRING CPPTRAJ_INTERNAL_VERSION
#endif
5 changes: 4 additions & 1 deletion src/molsurf.c
Original file line number Diff line number Diff line change
Expand Up @@ -6916,6 +6916,7 @@ static int non_axial_trim (int nat, ATOM atom[], RES res[], // NOTE: was void
n_groups = ig;

#ifdef DEBUG
int inew = -1;
printf ("cusp groups\n");
i = 0;
for (ig = 0; ig < n_groups; ++ig) {
Expand Down Expand Up @@ -7236,6 +7237,8 @@ static int broken_concave_area (REAL_T probe_rad,
total_area += broken_concave_face[iface].area;
*broken_conc_area += broken_concave_face[iface].area;
#ifdef DEBUG
int iedge = -1;
int ie = 0;
printf ("-----\nbroken concave face probe %8.3f%8.3f%8.3f n_cycles %d\n",
probe[iprobe].pos[0], probe[iprobe].pos[1], probe[iprobe].pos[2],
broken_concave_face[iface].n_cycles);
Expand All @@ -7245,7 +7248,7 @@ static int broken_concave_area (REAL_T probe_rad,
for (ie = 0; ie < concave_cycle[icycle].nedges; ++ie) {
iedge = concave_cycle[icycle].edge[ie];
if (concave_cycle[icycle].edge_direction[ie] == -1) {
printf (" !", iedge);
printf ("%d !", iedge);
}
printf ("%d:%d ", concave_edge[iedge].vert1, concave_edge[iedge].vert2);
}
Expand Down
3 changes: 3 additions & 0 deletions src/molsurf.h
Original file line number Diff line number Diff line change
Expand Up @@ -48,6 +48,9 @@ typedef struct atom {
int n_cycles; // cycles of edges associated with atom
int cycle_start; // points to start of cyclelist for the atom
REAL_T area; // accessible surf area associated with the atom
# ifdef DEBUG
int res;
# endif
} ATOM;

typedef struct neighbor_torus {
Expand Down
4 changes: 2 additions & 2 deletions src/readline/tparam.c
Original file line number Diff line number Diff line change
Expand Up @@ -317,7 +317,7 @@ tparam1 (string, outstring, len, up, left, argp)
return outstring;
}

#ifdef DEBUG
/*#ifdef DEBUG

main (argc, argv)
int argc;
Expand All @@ -333,4 +333,4 @@ main (argc, argv)
return 0;
}

#endif /* DEBUG */
#endif*/ /* DEBUG */