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Make code compile with recent g++ (9.1.0)
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@h-larsson
h-larsson committed Jun 28, 2019
1 parent 8d9df4f commit 60c9e6d
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Showing 6 changed files with 69 additions and 64 deletions.
30 changes: 17 additions & 13 deletions Makefile
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Original file line number Diff line number Diff line change
Expand Up @@ -6,18 +6,19 @@
######### GENERAL OPTIONS FOR USER #########

# change to icpc for Intel
CXX = clang++
MPICXX = mpiicpc
CXX = g++
MPICXX = mpic++
export CXX
export MPICXX

# BOOST include directory
#BOOSTINCLUDE = /home/sharma/apps/forServer/boost_1_53_0_mt/boost_1_53_0/
#BOOSTINCLUDE = /home/sharma/apps/boost/boost_1_55_0/
BOOSTINCLUDE = /opt/local/include
#BOOSTDIR=/software/StackBlock/boost_1_58_0/HRL_INSTALL
#BOOSTINCLUDE = ${BOOSTDIR}/include
BOOSTDIR=/usr/lib
BOOSTINCLUDE =/usr/include

# set to yes if using BOOST version >= 1.56.0
USE_BOOST56 = no
USE_BOOST56 = yes
ifeq ($(USE_BOOST56), yes)
B56 = -DBOOST_1_56_0
endif
Expand All @@ -26,10 +27,13 @@ endif
#BOOSTLIB = -L/home/sharma/apps/forServer/boost_1_53_0_mt/boost_1_53_0/stage/lib -lboost_serialization -lboost_system -lboost_filesystem
#BOOSTLIB = -L/home/sharma/apps/boost/boost_1_55_0/stage/lib -lboost_serialization -lboost_system -lboost_filesystem
#BOOSTLIB = -lboost_serialization -lboost_system -lboost_filesystem
BOOSTLIB = -L/opt/local/lib -lboost_system-mt -lboost_filesystem-mt -lboost_serialization-mt
#BOOSTLIB = -L${BOOSTDIR}/lib -lboost_system-mt -lboost_filesystem-mt -lboost_serialization-mt
# Note: Newer boost libraries are typically thread-safe => "-mt" suffix not required.
BOOSTLIB = -L${BOOSTDIR}/lib -lboost_system -lboost_filesystem -lboost_serialization

#LAPACKBLAS = -lblas -llapack
LAPACKBLAS = /usr/lib/liblapack.dylib /usr/lib/libblas.dylib
#LAPACKBLAS = /usr/lib/liblapack.dylib /usr/lib/libblas.dylib
LAPACKBLAS =

# set if we will use MPI or OpenMP
USE_MPI = no
Expand All @@ -39,9 +43,9 @@ OPENMP = no
USE_MKL = no

ifeq ($(USE_MKL), yes)
MKLLIB = .
LAPACKBLAS = -L${MKLLIB} -lmkl_gf_lp64 -lmkl_sequential -lmkl_core #-lrt #-liomp5
MKLFLAGS = /usr/local/server/IntelStudio_2015/mkl/include/
# LAPACKBLAS = -L${MKLLIB} -lmkl_gf_lp64 -lmkl_sequential -lmkl_core #-lrt #-liomp5
LAPACKBLAS = -Wl,--no-as-needed -L${MKLROOT}/lib/intel64 -lmkl_gf_lp64 -lmkl_core -lmkl_sequential -lm -ldl -lrt
MKLFLAGS = ${MKLROOT}/include
MKLOPT = -D_HAS_INTEL_MKL
else
MKLFLAGS = .
Expand Down Expand Up @@ -132,7 +136,7 @@ ifeq (g++, $(CXX))
#endif
endif
# GNU compiler
OPT = -DNDEBUG -O2 -g -funroll-loops -Werror
OPT = -DNDEBUG -O2 -g -funroll-loops -Werror -Wno-error=deprecated-declarations -fdiagnostics-color=always
# OPT = -g -pg
endif

Expand Down Expand Up @@ -263,7 +267,7 @@ $(NEWMATLIB)/libnewmat.a :
cd $(NEWMATLIB) && $(MAKE) -f makefile libnewmat.a

clean:
rm *.o include/*.o modules/generate_blocks/*.o modules/onepdm/*.o modules/twopdm/*.o modules/npdm/*.o $(NEWMATLIB)*.o libqcdmrg.a libqcdmrg.so $(EXECUTABLE) $(NEWMATLIB)/libnewmat.a genetic/gaopt genetic/*.o btas/lib/*.o btas/lib/libbtas.a modules/two_index_ops/*.o modules/three_index_ops/*.o modules/four_index_ops/*.o modules/ResponseTheory/*.o modules/nevpt2/*.o molcas/*.o modules/mps_nevpt/*o
rm -f *.o include/*.o modules/generate_blocks/*.o modules/onepdm/*.o modules/twopdm/*.o modules/npdm/*.o $(NEWMATLIB)*.o libqcdmrg.a libqcdmrg.so $(EXECUTABLE) $(NEWMATLIB)/libnewmat.a genetic/gaopt genetic/*.o btas/lib/*.o btas/lib/libbtas.a modules/two_index_ops/*.o modules/three_index_ops/*.o modules/four_index_ops/*.o modules/ResponseTheory/*.o modules/nevpt2/*.o molcas/*.o modules/mps_nevpt/*o
find . -name "*.o" |xargs rm
check-syntax:
$(CXX) $(FLAGS) $(OPT) -o nul -S -Wall -Wextra -pedantic -fsyntax-only -Wno-variadic-macros $(CHK_SOURCES)
Expand Down
84 changes: 43 additions & 41 deletions dmrg_tests/runtest
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Original file line number Diff line number Diff line change
@@ -1,6 +1,8 @@
#change this depending on your architechture
#MPICOMMAND=srun
MPICOMMAND="mpirun -np 4"
#MPICOMMAND="mpirun -np 2"
MPICOMMAND=""
PYTHONCOMMAND="python2"



Expand All @@ -9,56 +11,56 @@ MPICOMMAND="mpirun -np 4"
echo "testing energy for c2_d2h..."
cd c2_d2h
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python ../test_energy.py 2 1.0e-6 -75.4844085040 -74.9778423596
$PYTHONCOMMAND ../test_energy.py 2 1.0e-6 -75.4844085040 -74.9778423596

echo "testing 2-pdm for c2_d2h..."
python ../test_twopdm.py spat_twopdm.0.0.txt node0/spatial_twopdm.0.0.txt 1e-7
python ../test_twopdm.py spat_twopdm.1.1.txt node0/spatial_twopdm.1.1.txt 1e-7
$PYTHONCOMMAND ../test_twopdm.py spat_twopdm.0.0.txt node0/spatial_twopdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_twopdm.py spat_twopdm.1.1.txt node0/spatial_twopdm.1.1.txt 1e-7
cd ../

#this just tests the lowest energy calculation. The run here uses no symmetry
echo "performing energy test on h2o..."
cd h2o_nosym
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python ../test_energy.py 1 1.0e-6 -76.11460447
$PYTHONCOMMAND ../test_energy.py 1 1.0e-6 -76.11460447
cd ../

#test for hubbard model and also calculate the onepdm
echo "performing reorder, 1-pdm test on hubbard..."
cd hubbard
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python ../test_energy.py 1 1.0e-6 -6.56819216
python ../test_onepdm.py spat_onepdm.0.0.txt node0/spatial_onepdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_energy.py 1 1.0e-6 -6.56819216
$PYTHONCOMMAND ../test_onepdm.py spat_onepdm.0.0.txt node0/spatial_onepdm.0.0.txt 1e-7
cd ../

echo "performing nonspinadapted test on hubbard..."
cd hubbard_nospin
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python ../test_energy.py 1 1.0e-6 -6.56819216
python ../test_onepdm.py spat_onepdm.0.0.txt node0/spatial_onepdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_energy.py 1 1.0e-6 -6.56819216
$PYTHONCOMMAND ../test_onepdm.py spat_onepdm.0.0.txt node0/spatial_onepdm.0.0.txt 1e-7
cd ../

echo "performing heisenberg test..."
cd heisenberg_2d
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python ../test_energy.py 1 1.0e-6 -11.2284830996
$PYTHONCOMMAND ../test_energy.py 1 1.0e-6 -11.2284830996
cd ../

echo "performing bcs test..."
cd bcs
#$MPICOMMAND ../../block.spin_adapted dmrg.conf > dmrg.out
../../block.spin_adapted dmrg.conf > dmrg.out
python ../test_energy.py 1 1e-6 -1.4816808342
python ../test_onepdm.py ref_onepdm.0.0.txt node0/onepdm.0.0.txt 1e-7
python ../test_onepdm.py spat_pairmat.0.0.txt node0/spatial_pairmat.0.0.txt 1e-7
$PYTHONCOMMAND ../test_energy.py 1 1e-6 -1.4816808342
$PYTHONCOMMAND ../test_onepdm.py ref_onepdm.0.0.txt node0/onepdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py spat_pairmat.0.0.txt node0/spatial_pairmat.0.0.txt 1e-7
cd ../

echo "testing transition threepdm..."
cd threepdm_C2
$MPICOMMAND ../../block.spin_adapted dmrg.conf > dmrg.out
python ../test_threepdm.py rdm3_0_0 node0/spatial_threepdm.0.0.txt 1e-6
python ../test_threepdm.py rdm3_1_0 node0/spatial_threepdm.1.0.txt 1e-6 1
python ../test_threepdm.py rdm3_1_1 node0/spatial_threepdm.1.1.txt 1e-6
$PYTHONCOMMAND ../test_threepdm.py rdm3_0_0 node0/spatial_threepdm.0.0.txt 1e-6
$PYTHONCOMMAND ../test_threepdm.py rdm3_1_0 node0/spatial_threepdm.1.0.txt 1e-6 1
$PYTHONCOMMAND ../test_threepdm.py rdm3_1_1 node0/spatial_threepdm.1.1.txt 1e-6
cd ../

#this first calculated twopdm with a small M for two lowest states (so the energy is not converged)
Expand All @@ -68,17 +70,17 @@ cd ../
echo "testing energy, 1- and 2-pdm for c2_d2h_smallM..."
cd c2_d2h_smallM
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python test_twopdm_withe.py
$PYTHONCOMMAND test_twopdm_withe.py
$MPICOMMAND ../../block.spin_adapted dmrg_fullrestart.conf >dmrg.out
python test_onepdm_withtwopdm.py
$PYTHONCOMMAND test_onepdm_withtwopdm.py
cd ../

echo "testing state specific excited states..."
cd hubbard_stateSpecific
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python ../test_energy.py 9 1.0e-6 -2.5065432138 -2.1684123422 -2.1684123422 -1.4755687956 -1.4755687956 -1.4142135624 -1.4142135624 -1.2897006828 -0.8284271247
$PYTHONCOMMAND ../test_energy.py 9 1.0e-6 -2.5065432138 -2.1684123422 -2.1684123422 -1.4755687956 -1.4755687956 -1.4142135624 -1.4142135624 -1.2897006828 -0.8284271247
$MPICOMMAND ../../block.spin_adapted dmrg_statespecific.conf >dmrg.out
python ../test_energy.py 9 1.0e-6 -2.5065432138 -2.1684123422 -2.1684123422 -1.4755687956 -1.4755687956 -1.4142135624 -1.4142135624 -1.2897006828 -0.8284271247
$PYTHONCOMMAND ../test_energy.py 9 1.0e-6 -2.5065432138 -2.1684123422 -2.1684123422 -1.4755687956 -1.4755687956 -1.4142135624 -1.4142135624 -1.2897006828 -0.8284271247
cd ../


Expand All @@ -87,15 +89,15 @@ echo "testing 3pdm, 4pdm and npdm nevpt2 for h2o_small"
cd h2o_npdm
echo "testing 3pdm..."
$MPICOMMAND ../../block.spin_adapted dmrg3.conf >dmrg3.out
python ../test_threepdm.py node0/spatial_threepdm.0.0.txt spat_threepdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_threepdm.py node0/spatial_threepdm.0.0.txt spat_threepdm.0.0.txt 1e-7
#echo "testing 4pdm..."
#$MPICOMMAND ../../block.spin_adapted dmrg4.conf >dmrg.out
#python ../test_fourpdm.py node0/spatial_fourpdm.0.0.txt spat_fourpdm.0.0.txt 1e-7
#$PYTHONCOMMAND ../test_fourpdm.py node0/spatial_fourpdm.0.0.txt spat_fourpdm.0.0.txt 1e-7
#echo "testing npdm nevpt2..."
#rm -f partial*bin A16_matrix*txt
#$MPICOMMAND ../../block.spin_adapted npdm_nevpt.conf >dmrg.out
#python ../test_threepdm.py node0/A16_matrix.0.0.txt A16_matrix.0.0.txt.ref 1e-7
#python ../test_threepdm.py node0/A22_matrix.0.0.txt A22_matrix.0.0.txt.ref 1e-7
#$PYTHONCOMMAND ../test_threepdm.py node0/A16_matrix.0.0.txt A16_matrix.0.0.txt.ref 1e-7
#$PYTHONCOMMAND ../test_threepdm.py node0/A22_matrix.0.0.txt A22_matrix.0.0.txt.ref 1e-7
cd ../


Expand All @@ -104,61 +106,61 @@ echo "testing 1pdm and 2pdm in non-spinAdapted calcultions"
cd hubbard_nonspinpdm
echo " test 1pdm..."
$MPICOMMAND ../../block.spin_adapted dmrg_onepdm.conf >dmrg.out
python ../test_onepdm.py node0/spatial_onepdm.0.0.txt spat_onepdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_onepdm.0.0.txt spat_onepdm.0.0.txt 1e-7
echo " test 2pdm..."
#$MPICOMMAND ../../block.spin_adapted dmrg_twopdm.conf >dmrg.out
../../block.spin_adapted dmrg_twopdm.conf >dmrg.out
python ../test_onepdm.py node0/spatial_twopdm.0.0.txt spat_twopdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_twopdm.0.0.txt spat_twopdm.0.0.txt 1e-7
cd ../

echo "testing transition 1pdm and 2pdm for hubbard model"
cd hubbard_transition_pdm
echo " test transiton 1pdm..."
$MPICOMMAND ../../block.spin_adapted dmrg_onepdm.conf >dmrg.out
python ../test_onepdm.py node0/spatial_onepdm.0.0.txt spat_onepdm.0.0.txt 1e-7
python ../test_onepdm.py node0/spatial_onepdm.1.1.txt spat_onepdm.1.1.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_onepdm.0.0.txt spat_onepdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_onepdm.1.1.txt spat_onepdm.1.1.txt 1e-7
echo " test transition 2pdm..."
$MPICOMMAND ../../block.spin_adapted dmrg_twopdm.conf >dmrg.out
python ../test_onepdm.py node0/spatial_twopdm.0.0.txt spat_twopdm.0.0.txt 1e-7
python ../test_onepdm.py node0/spatial_twopdm.1.1.txt spat_twopdm.1.1.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_twopdm.0.0.txt spat_twopdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_twopdm.1.1.txt spat_twopdm.1.1.txt 1e-7
cd ../

echo "testing transition 1pdm for h2o"
cd h2o_transitionpdm
echo " test transiton 1pdm with state average..."
$MPICOMMAND ../../block.spin_adapted dmrg_onepdm.conf >dmrg_onepdm.out
python ../test_onepdm.py node0/spatial_onepdm.0.0.txt spat_onepdm.0.0.txt 1e-7
python ../test_onepdm.py node0/spatial_onepdm.1.1.txt spat_onepdm.1.1.txt 1e-7
python ../test_transitiononepdm.py node0/spatial_onepdm.1.0.txt spat_onepdm.1.0.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_onepdm.0.0.txt spat_onepdm.0.0.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_onepdm.1.1.txt spat_onepdm.1.1.txt 1e-7
$PYTHONCOMMAND ../test_transitiononepdm.py node0/spatial_onepdm.1.0.txt spat_onepdm.1.0.txt 1e-7
echo " test transiton 1pdm with state specific..."
$MPICOMMAND ../../block.spin_adapted dmrg_onepdm.conf >dmrg_onepdm.out
$MPICOMMAND ../../block.spin_adapted dmrg_statespecific.conf >dmrg_statespecific.out
python ../test_onepdm.py node0/spatial_onepdm.0.0.txt spat_onepdm.0.0.txt 1e-6
python ../test_onepdm.py node0/spatial_onepdm.1.1.txt spat_onepdm.1.1.txt 1e-7
python ../test_transitiononepdm.py node0/spatial_onepdm.1.0.txt spat_onepdm.1.0.txt 1e-7
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_onepdm.0.0.txt spat_onepdm.0.0.txt 1e-6
$PYTHONCOMMAND ../test_onepdm.py node0/spatial_onepdm.1.1.txt spat_onepdm.1.1.txt 1e-7
$PYTHONCOMMAND ../test_transitiononepdm.py node0/spatial_onepdm.1.0.txt spat_onepdm.1.0.txt 1e-7
cd ../

#echo "testing NEVPT2 calculations"
#cd h2o_nevpt2/
#$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
#python ../test_nevpt2_energy.py Reference.dat 1e-6
#$PYTHONCOMMAND ../test_nevpt2_energy.py Reference.dat 1e-6
#cd ../

echo "testing MPSPT calculations"
cd mpspt2
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python ../test_energy.py 1 1e-6 -94.6312677977
$PYTHONCOMMAND ../test_energy.py 1 1e-6 -94.6312677977
$MPICOMMAND ../../block.spin_adapted compress.conf >compress.out
$MPICOMMAND ../../block.spin_adapted response.conf >response.out
python ../test_energy.py 1 5e-4 -0.1488178755
$PYTHONCOMMAND ../test_energy.py 1 5e-4 -0.1488178755
cd ../

echo "testing MPSPT_AAAV calculations"
cd mpspt2aaav
$MPICOMMAND ../../block.spin_adapted dmrg.conf >dmrg.out
python ../test_energy.py 1 1e-6 -17.718279624510
$PYTHONCOMMAND ../test_energy.py 1 1e-6 -17.718279624510
$MPICOMMAND ../../block.spin_adapted response_aaav.conf >response_aaav.out
python ../test_energy.py 1 5e-4 -5.3106166331e-02
$PYTHONCOMMAND ../test_energy.py 1 5e-4 -5.3106166331e-02
cd ../

./clean
Expand Down
1 change: 0 additions & 1 deletion input.h
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Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,6 @@ Sandeep Sharma and Garnet K.-L. Chan
#include "SpinQuantum.h"
#include "timer.h"
#include "couplingCoeffs.h"
#include <boost/tr1/unordered_map.hpp>
#include "enumerator.h"

namespace SpinAdapted{
Expand Down
2 changes: 1 addition & 1 deletion modules/mps_nevpt/mps_nevpt.C
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Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@ void dmrg(double sweep_tol);
vector<double> perturber::ZeroEnergy;
//vector<double> perturber::CoreEnergy;

double readZeroEnergy(){
void readZeroEnergy(){
perturber::ZeroEnergy.resize(dmrginp.nroots());
// perturber::CoreEnergy.resize(dmrginp.nroots(),0.0);

Expand Down
8 changes: 4 additions & 4 deletions stackopxop.C
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Original file line number Diff line number Diff line change
Expand Up @@ -3252,7 +3252,7 @@ void SpinAdapted::stackopxop::ccd_cxcdcomp(const StackSpinBlock* otherblock, con
// }
//}
//
void SpinAdapted::stackopxop::cdd_cxddcomp(const StackSpinBlock* otherblock, boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q)
void SpinAdapted::stackopxop::cdd_cxddcomp(const StackSpinBlock* otherblock, const boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q)
{
int ilock = 0;
const StackSpinBlock* loopblock = (otherblock==b->get_leftBlock()) ? b->get_rightBlock() : b->get_leftBlock();
Expand Down Expand Up @@ -3289,7 +3289,7 @@ void SpinAdapted::stackopxop::cdd_cxddcomp(const StackSpinBlock* otherblock, boo
if (deallocate1) op1->deallocate();
}

void SpinAdapted::stackopxop::cdd_dxcdcomp(const StackSpinBlock* otherblock, boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q)
void SpinAdapted::stackopxop::cdd_dxcdcomp(const StackSpinBlock* otherblock, const boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q)
{
int ilock = 0;
const StackSpinBlock* loopblock = (otherblock==b->get_leftBlock()) ? b->get_rightBlock() : b->get_leftBlock();
Expand Down Expand Up @@ -3329,7 +3329,7 @@ void SpinAdapted::stackopxop::cdd_dxcdcomp(const StackSpinBlock* otherblock, boo
if (deallocate1) op1->deallocate();
}

void SpinAdapted::stackopxop::ccd_dxcccomp(const StackSpinBlock* otherblock, boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q)
void SpinAdapted::stackopxop::ccd_dxcccomp(const StackSpinBlock* otherblock, const boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q)
{
const StackSpinBlock* loopblock = (otherblock==b->get_leftBlock()) ? b->get_rightBlock() : b->get_leftBlock();

Expand Down Expand Up @@ -3365,7 +3365,7 @@ void SpinAdapted::stackopxop::ccd_dxcccomp(const StackSpinBlock* otherblock, boo
if (deallocate1) op1->deallocate();
}

void SpinAdapted::stackopxop::ccd_cxcdcomp(const StackSpinBlock* otherblock, boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q)
void SpinAdapted::stackopxop::ccd_cxcdcomp(const StackSpinBlock* otherblock, const boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q)
{
int ilock = 0;
const StackSpinBlock* loopblock = (otherblock==b->get_leftBlock()) ? b->get_rightBlock() : b->get_leftBlock();
Expand Down
8 changes: 4 additions & 4 deletions stackopxop.h
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Original file line number Diff line number Diff line change
Expand Up @@ -64,10 +64,10 @@ namespace stackopxop

//**********************************************************************************************************

void cdd_cxddcomp(const StackSpinBlock* otherblock, boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q);
void cdd_dxcdcomp(const StackSpinBlock* otherblock, boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q);
void ccd_dxcccomp(const StackSpinBlock* otherblock, boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q);
void ccd_cxcdcomp(const StackSpinBlock* otherblock, boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q);
void cdd_cxddcomp(const StackSpinBlock* otherblock, const boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q);
void cdd_dxcdcomp(const StackSpinBlock* otherblock, const boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q);
void ccd_dxcccomp(const StackSpinBlock* otherblock, const boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q);
void ccd_cxcdcomp(const StackSpinBlock* otherblock, const boost::shared_ptr<StackSparseMatrix> & op1, const StackSpinBlock* b, StackWavefunction& c, StackWavefunction* v, const SpinQuantum& q);

//*********************************************************************************

Expand Down

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