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update colvars library to produce no more warnings with g++ -Wall

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This commit is contained in:
Axel Kohlmeyer
2014-05-08 17:17:06 -04:00
parent 55365522a9
commit b38cb2573e
8 changed files with 26 additions and 21 deletions
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2
lib/colvars/Makefile.fermi
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@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty
CXX = g++
CXXFLAGS = -O2 -mpc64 -march=native -funroll-loops -g \
-fno-rtti -fno-exceptions # -DCOLVARS_DEBUG
-fno-rtti -fno-exceptions -Wall -Wno-sign-compare # -DCOLVARS_DEBUG
ARCHIVE = ar
ARCHFLAG = -rscv
SHELL = /bin/sh

7
lib/colvars/colvar.cpp
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@ -591,11 +591,12 @@ void colvar::enable (colvar::task const &t)
}
break;
case task_output_value:
case task_runave:
case task_corrfunc:
case task_ntot:
case task_langevin:
case task_output_energy:
break;
case task_gradients:
@ -612,6 +613,7 @@ void colvar::enable (colvar::task const &t)
build_atom_list();
}
break;
}
@ -660,6 +662,9 @@ void colvar::disable (colvar::task const &t)
case task_lower_wall:
case task_upper_wall:
case task_ntot:
case task_langevin:
case task_output_energy:
case task_collect_gradients:
break;
}

6
lib/colvars/colvaratoms.cpp
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@ -14,8 +14,8 @@
cvm::atom_group::atom_group (std::string const &conf,
char const *key)
: b_center (false), b_rotate (false), b_user_defined_fit (false),
ref_pos_group (NULL),
b_fit_gradients (false),
ref_pos_group (NULL),
noforce (false)
{
cvm::log ("Defining atom group \""+
@ -27,7 +27,7 @@ cvm::atom_group::atom_group (std::string const &conf,
cvm::atom_group::atom_group (std::vector<cvm::atom> const &atoms)
: b_dummy (false), b_center (false), b_rotate (false),
ref_pos_group (NULL), b_fit_gradients (false),
b_fit_gradients (false), ref_pos_group (NULL),
noforce (false)
{
this->reserve (atoms.size());
@ -44,7 +44,7 @@ cvm::atom_group::atom_group (std::vector<cvm::atom> const &atoms)
cvm::atom_group::atom_group()
: b_dummy (false), b_center (false), b_rotate (false),
ref_pos_group (NULL), b_fit_gradients (false),
b_fit_gradients (false), ref_pos_group (NULL),
noforce (false)
{
total_mass = 0.0;

4
lib/colvars/colvarbias.cpp
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@ -121,8 +121,8 @@ std::ostream & colvarbias::write_traj (std::ostream &os)
colvarbias_harmonic::colvarbias_harmonic (std::string const &conf,
char const *key)
: colvarbias (conf, key),
target_nsteps (0),
target_nstages (0)
target_nstages (0),
target_nsteps (0)
{
get_keyval (conf, "forceConstant", force_k, 1.0);
for (size_t i = 0; i < colvars.size(); i++) {

8
lib/colvars/colvarbias_meta.cpp
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@ -25,16 +25,16 @@
colvarbias_meta::colvarbias_meta()
: colvarbias(),
state_file_step (0),
new_hills_begin (hills.end())
new_hills_begin (hills.end()),
state_file_step (0)
{
}
colvarbias_meta::colvarbias_meta (std::string const &conf, char const *key)
: colvarbias (conf, key),
state_file_step (0),
new_hills_begin (hills.end())
new_hills_begin (hills.end()),
state_file_step (0)
{
if (cvm::n_abf_biases > 0)
cvm::log ("Warning: running ABF and metadynamics together is not recommended unless applyBias is off for ABF.\n");

8
lib/colvars/colvarcomp.cpp
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@ -8,18 +8,18 @@
colvar::cvc::cvc()
: sup_coeff (1.0), sup_np (1),
b_periodic (false),
b_debug_gradients (false),
b_inverse_gradients (false),
b_Jacobian_derivative (false)
b_Jacobian_derivative (false),
b_debug_gradients (false)
{}
colvar::cvc::cvc (std::string const &conf)
: sup_coeff (1.0), sup_np (1),
b_periodic (false),
b_debug_gradients (false),
b_inverse_gradients (false),
b_Jacobian_derivative (false)
b_Jacobian_derivative (false),
b_debug_gradients (false)
{
if (cvm::debug())
cvm::log ("Initializing cvc base object.\n");

10
lib/colvars/colvargrid.h
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@ -173,19 +173,19 @@ public:
/// \brief "Almost copy-constructor": only copies configuration
/// parameters from another grid, but doesn't reallocate stuff;
/// create() must be called after that;
colvar_grid (colvar_grid<T> const &g) : has_data (false),
nd (g.nd),
colvar_grid (colvar_grid<T> const &g) : nd (g.nd),
nx (g.nx),
mult (g.mult),
data(),
cv (g.cv),
actual_value (g.actual_value),
lower_boundaries (g.lower_boundaries),
upper_boundaries (g.upper_boundaries),
periodic (g.periodic),
hard_lower_boundaries (g.hard_lower_boundaries),
hard_upper_boundaries (g.hard_upper_boundaries),
periodic (g.periodic),
widths (g.widths),
actual_value (g.actual_value),
data()
has_data (false)
{
save_delimiters = false;
}

2
lib/colvars/colvarparse.cpp
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@ -595,7 +595,7 @@ std::istream & operator>> (std::istream &is, colvarparse::read_block const &rb)
size_t brace_count = 1;
std::string line;
while (colvarparse::getline_nocomments (is, line)) {
size_t br = 0, br_old;
size_t br = 0, br_old = 0;
while ( (br = line.find_first_of ("{}", br)) != std::string::npos) {
if (line[br] == '{') brace_count++;
if (line[br] == '}') brace_count--;