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knikhil1995knikhil1995
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Merged in templatizationRefactoring (pull request #672)
Remove FEOrder and FEOrderElectro templates Approved-by: Sambit Das Approved-by: Phani Motamarri
2 parents b78c605 + 56230b4 commit 83590da

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‎CMakeLists.txt

Lines changed: 0 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -347,10 +347,6 @@ ENDIF("${isSystemDir}" STREQUAL "-1")
347347
# make sure RPATHs are used on macOS
348348
SET(CMAKE_INSTALL_NAME_DIR "${CMAKE_INSTALL_PREFIX}/lib")
349349

350-
IF (MINIMAL_COMPILE)
351-
ADD_DEFINITIONS(-DDFTFE_MINIMAL_COMPILE)
352-
ENDIF()
353-
354350
IF (HIGHERQUAD_PSP)
355351
ADD_DEFINITIONS(-DDFTFE_WITH_HIGHERQUAD_PSP)
356352
ENDIF()

‎doc/manual/parameters.tex

Lines changed: 16 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -973,6 +973,22 @@ \subsection{Parameters in section \tt Finite element mesh parameters}
973973
\label{parameters:Finite_20element_20mesh_20parameters}
974974

975975
\begin{itemize}
976+
\item {\it Parameter name:} {\tt DENSITY QUADRATURE RULE}
977+
\phantomsection\label{parameters:Finite element mesh parameters/DENSITY QUADRATURE RULE}
978+
\label{parameters:Finite_20element_20mesh_20parameters/DENSITY_20QUADRATURE_20RULE}
979+
980+
981+
\index[prmindex]{DENSITY QUADRATURE RULE}
982+
\index[prmindexfull]{Finite element mesh parameters!DENSITY QUADRATURE RULE}
983+
{\it Value:} 0
984+
985+
986+
{\it Default:} 0
987+
988+
989+
{\it Description:} [Standard] The quadrtaure rule used for computing the electron density. It is automatically set to 16 for MGGA exchange-correlation functional or max of POLYNOMIAL ORDER DENSITY NODAL +1 for other exchange-correlation functionals if DENSITY QUADTRATURE RULE set to default value of zero.
990+
991+
976992
\item {\it Parameter name:} {\tt POLYNOMIAL ORDER}
977993
\phantomsection\label{parameters:Finite element mesh parameters/POLYNOMIAL ORDER}
978994
\label{parameters:Finite_20element_20mesh_20parameters/POLYNOMIAL_20ORDER}

‎helpers/MATRIXcluster/setupDevelopPetsc_MATRIX.sh

Lines changed: 3 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -68,7 +68,6 @@ withHigherQuadPSP=OFF
6868
build_type=Release
6969

7070
testing=ON
71-
minimal_compile=ON
7271
useInt64=$withGPU
7372
###########################################################################
7473
#Usually, no changes are needed below this line
@@ -94,7 +93,7 @@ function cmake_configure() {
9493
-DWITH_CUSTOMIZED_DEALII=$withCustomizedDealii\
9594
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH;$dftdpath;$numdiffdir"\
9695
-DWITH_COMPLEX=$withComplex -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_CUDA_FLAGS="$device_flags" -DCMAKE_CUDA_ARCHITECTURES="$device_architectures"\
97-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
96+
-DWITH_TESTING=$testing \
9897
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DBUILD_SHARED_LIBS=ON -DUSE_64BIT_INT=$useInt64 $1
9998
elif [ "$gpuLang" = "hip" ]; then
10099
cmake -DCMAKE_EXPORT_COMPILE_COMMANDS=TRUE -DCMAKE_CXX_STANDARD=17 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -108,7 +107,7 @@ function cmake_configure() {
108107
-DWITH_CUSTOMIZED_DEALII=$withCustomizedDealii\
109108
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH;$dftdpath;$numdiffdir"\
110109
-DWITH_COMPLEX=$withComplex -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_HIP_FLAGS="$device_flags" -DCMAKE_HIP_ARCHITECTURES="$device_architectures"\
111-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
110+
-DWITH_TESTING=$testing \
112111
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DBUILD_SHARED_LIBS=ON -DUSE_64BIT_INT=$useInt64 $1
113112
else
114113
cmake -DCMAKE_EXPORT_COMPILE_COMMANDS=TRUE -DCMAKE_CXX_STANDARD=17 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -122,7 +121,7 @@ function cmake_configure() {
122121
-DWITH_CUSTOMIZED_DEALII=$withCustomizedDealii\
123122
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH;$dftdpath;$numdiffdir"\
124123
-DWITH_COMPLEX=$withComplex \
125-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
124+
-DWITH_TESTING=$testing \
126125
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DBUILD_SHARED_LIBS=ON -DUSE_64BIT_INT=$useInt64 $1
127126
fi
128127
}

‎helpers/NERSCPerlmutter/setupUserPerlmutter.sh

Lines changed: 6 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -62,7 +62,6 @@ withHigherQuadPSP=OFF
6262
build_type=Release
6363

6464
testing=OFF
65-
minimal_compile=ON
6665
useInt64=$withGPU
6766
###########################################################################
6867
#Usually, no changes are needed below this line
@@ -89,7 +88,7 @@ function cmake_real() {
8988
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
9089
-DWITH_COMPLEX=OFF -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_CUDA_FLAGS="$device_flags" -DCMAKE_CUDA_ARCHITECTURES="$device_architectures"\
9190
-DCMAKE_SHARED_LINKER_FLAGS="-L$MPICH_DIR/lib -lmpich"\
92-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
91+
-DWITH_TESTING=$testing \
9392
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
9493
elif [ "$gpuLang" = "hip" ]; then
9594
cmake -DCMAKE_CXX_STANDARD=14 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -102,7 +101,7 @@ function cmake_real() {
102101
-DWITH_MDI=$withMDI -DMDI_PATH=$mdiPath \
103102
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
104103
-DWITH_COMPLEX=OFF -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_HIP_FLAGS="$device_flags" -DCMAKE_HIP_ARCHITECTURES="$device_architectures"\
105-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
104+
-DWITH_TESTING=$testing \
106105
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
107106
else
108107
cmake -DCMAKE_CXX_STANDARD=14 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -115,7 +114,7 @@ function cmake_real() {
115114
-DWITH_MDI=$withMDI -DMDI_PATH=$mdiPath \
116115
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
117116
-DWITH_COMPLEX=OFF\
118-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
117+
-DWITH_TESTING=$testing \
119118
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
120119
fi
121120
}
@@ -134,7 +133,7 @@ function cmake_cplx() {
134133
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
135134
-DWITH_COMPLEX=ON -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_CUDA_FLAGS="$device_flags" -DCMAKE_CUDA_ARCHITECTURES="$device_architectures"\
136135
-DCMAKE_SHARED_LINKER_FLAGS="-L$MPICH_DIR/lib -lmpich"\
137-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
136+
-DWITH_TESTING=$testing \
138137
-DHIGHERQUAD_PSP=$withHigherQuadPSP $1
139138
elif [ "$gpuLang" = "hip" ]; then
140139
cmake -DCMAKE_CXX_STANDARD=14 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -147,7 +146,7 @@ function cmake_cplx() {
147146
-DWITH_MDI=$withMDI -DMDI_PATH=$mdiPath \
148147
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
149148
-DWITH_COMPLEX=ON -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_HIP_FLAGS="$device_flags" -DCMAKE_HIP_ARCHITECTURES="$device_architectures"\
150-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
149+
-DWITH_TESTING=$testing \
151150
-DHIGHERQUAD_PSP=$withHigherQuadPSP $1
152151
else
153152
cmake -DCMAKE_CXX_STANDARD=14 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -160,7 +159,7 @@ function cmake_cplx() {
160159
-DWITH_MDI=$withMDI -DMDI_PATH=$mdiPath \
161160
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
162161
-DWITH_COMPLEX=ON \
163-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
162+
-DWITH_TESTING=$testing \
164163
-DHIGHERQUAD_PSP=$withHigherQuadPSP $1
165164
fi
166165
}

‎helpers/NERSCPerlmutter/setupUserPerlmutterNoPetsc.sh

Lines changed: 6 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -61,7 +61,6 @@ withHigherQuadPSP=OFF
6161
build_type=Release
6262

6363
testing=OFF
64-
minimal_compile=OFF
6564
useInt64=$withGPU
6665
###########################################################################
6766
#Usually, no changes are needed below this line
@@ -88,7 +87,7 @@ function cmake_real() {
8887
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
8988
-DWITH_COMPLEX=OFF -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_CUDA_FLAGS="$device_flags" -DCMAKE_CUDA_ARCHITECTURES="$device_architectures"\
9089
-DCMAKE_SHARED_LINKER_FLAGS="-L$MPICH_DIR/lib -lmpich"\
91-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
90+
-DWITH_TESTING=$testing \
9291
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
9392
elif [ "$gpuLang" = "hip" ]; then
9493
cmake -DCMAKE_CXX_STANDARD=14 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -101,7 +100,7 @@ function cmake_real() {
101100
-DWITH_MDI=$withMDI -DMDI_PATH=$mdiPath \
102101
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
103102
-DWITH_COMPLEX=OFF -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_HIP_FLAGS="$device_flags" -DCMAKE_HIP_ARCHITECTURES="$device_architectures"\
104-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
103+
-DWITH_TESTING=$testing \
105104
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
106105
else
107106
cmake -DCMAKE_CXX_STANDARD=14 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -114,7 +113,7 @@ function cmake_real() {
114113
-DWITH_MDI=$withMDI -DMDI_PATH=$mdiPath \
115114
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
116115
-DWITH_COMPLEX=OFF\
117-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
116+
-DWITH_TESTING=$testing \
118117
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
119118
fi
120119
}
@@ -133,7 +132,7 @@ function cmake_cplx() {
133132
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
134133
-DWITH_COMPLEX=ON -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_CUDA_FLAGS="$device_flags" -DCMAKE_CUDA_ARCHITECTURES="$device_architectures"\
135134
-DCMAKE_SHARED_LINKER_FLAGS="-L$MPICH_DIR/lib -lmpich"\
136-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
135+
-DWITH_TESTING=$testing \
137136
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
138137
elif [ "$gpuLang" = "hip" ]; then
139138
cmake -DCMAKE_CXX_STANDARD=14 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -146,7 +145,7 @@ function cmake_cplx() {
146145
-DWITH_MDI=$withMDI -DMDI_PATH=$mdiPath \
147146
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
148147
-DWITH_COMPLEX=ON -DWITH_GPU=$withGPU -DGPU_LANG=$gpuLang -DGPU_VENDOR=$gpuVendor -DWITH_GPU_AWARE_MPI=$withGPUAwareMPI -DCMAKE_HIP_FLAGS="$device_flags" -DCMAKE_HIP_ARCHITECTURES="$device_architectures"\
149-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
148+
-DWITH_TESTING=$testing \
150149
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
151150
else
152151
cmake -DCMAKE_CXX_STANDARD=14 -DCMAKE_CXX_COMPILER=$cxx_compiler\
@@ -159,7 +158,7 @@ function cmake_cplx() {
159158
-DWITH_MDI=$withMDI -DMDI_PATH=$mdiPath \
160159
-DWITH_DCCL=$withDCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$DCCL_PATH"\
161160
-DWITH_COMPLEX=ON \
162-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile\
161+
-DWITH_TESTING=$testing \
163162
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 $1
164163
fi
165164
}

‎helpers/UMGreatLakes/setup.sh

Lines changed: 2 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -49,7 +49,6 @@ withHigherQuadPSP=OFF
4949
build_type=Release
5050

5151
testing=ON
52-
minimal_compile=ON
5352
###########################################################################
5453
#Usually, no changes are needed below this line
5554
#
@@ -71,7 +70,7 @@ function cmake_real() {
7170
-DXML_INCLUDE_DIR=$xmlIncludeDir \
7271
-DWITH_NCCL=$withNCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$NCCL_PATH"\
7372
-DWITH_COMPLEX=OFF -DWITH_GPU=$withGPU -DCMAKE_CUDA_FLAGS="$cuda_flags"\
74-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile \
73+
-DWITH_TESTING=$testing \
7574
-DHIGHERQUAD_PSP=$withHigherQuadPSP\
7675
$1
7776
}
@@ -86,7 +85,7 @@ function cmake_cplx() {
8685
-DXML_INCLUDE_DIR=$xmlIncludeDir \
8786
-DCMAKE_PREFIX_PATH="$ELPA_PATH" \
8887
-DWITH_COMPLEX=ON \
89-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile \
88+
-DWITH_TESTING=$testing \
9089
-DHIGHERQUAD_PSP=$withHigherQuadPSP\
9190
$1
9291
}

‎helpers/UMGreatLakes/setupDevelopPetscMDIInstall.sh

Lines changed: 2 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -50,7 +50,6 @@ withHigherQuadPSP=OFF
5050
build_type=Release
5151

5252
testing=ON
53-
minimal_compile=ON
5453
useInt64=$withGPU
5554

5655
###########################################################################
@@ -75,7 +74,7 @@ function cmake_real() {
7574
-DMDI_PATH=$mdiPath \
7675
-DWITH_NCCL=$withNCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$NCCL_PATH"\
7776
-DWITH_COMPLEX=OFF -DWITH_GPU=$withGPU -DCMAKE_CUDA_FLAGS="$cuda_flags"\
78-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile \
77+
-DWITH_TESTING=$testing \
7978
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 \
8079
$1
8180
}
@@ -91,7 +90,7 @@ function cmake_cplx() {
9190
-DMDI_PATH=$mdiPath\
9291
-DWITH_NCCL=$withNCCL -DCMAKE_PREFIX_PATH="$ELPA_PATH;$NCCL_PATH" \
9392
-DWITH_COMPLEX=ON \
94-
-DWITH_TESTING=$testing -DMINIMAL_COMPILE=$minimal_compile \
93+
-DWITH_TESTING=$testing \
9594
-DHIGHERQUAD_PSP=$withHigherQuadPSP -DUSE_64BIT_INT=$useInt64 \
9695
$1
9796
}

‎include/FEBasisOperations.h

Lines changed: 14 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -1039,6 +1039,20 @@ namespace dftfe
10391039
mpiPatternP2P;
10401040

10411041

1042+
void
1043+
interpolate(
1044+
distributedCPUVec<double> &nodalField,
1045+
const dftfe::uInt dofHandlerId,
1046+
const dftfe::uInt quadratureId,
1047+
dftfe::utils::MemoryStorage<double, dftfe::utils::MemorySpace::HOST>
1048+
&quadratureValueData,
1049+
dftfe::utils::MemoryStorage<double, dftfe::utils::MemorySpace::HOST>
1050+
&quadratureGradValueData,
1051+
dftfe::utils::MemoryStorage<double, dftfe::utils::MemorySpace::HOST>
1052+
&quadratureHessianValueData,
1053+
const bool isEvaluateGradData = false,
1054+
const bool isEvaluateHessianData = false) const;
1055+
10421056
/**
10431057
* @brief Interpolate process level nodal data to cell level quadrature data.
10441058
* @param[in] nodalData process level nodal data, the multivector should

‎include/constants.h

Lines changed: 13 additions & 30 deletions
Original file line numberDiff line numberDiff line change
@@ -36,9 +36,8 @@ namespace dftfe
3636
const double C_AngToBohr = 1.0 / 0.529177210903;
3737

3838
/// 1d quadrature rule order
39-
template <dftfe::uInt FEOrder>
40-
constexpr dftfe::uInt
41-
C_num1DQuad()
39+
inline dftfe::uInt
40+
C_num1DQuad(dftfe::uInt FEOrder)
4241
{
4342
return FEOrder + 1;
4443
}
@@ -89,33 +88,25 @@ namespace dftfe
8988
}
9089

9190
#ifdef DFTFE_WITH_HIGHERQUAD_PSP
92-
/// rho nodal polynomial order
93-
template <dftfe::uInt FEOrder, dftfe::uInt FEOrderElectro>
94-
constexpr dftfe::uInt
95-
C_rhoNodalPolyOrder()
96-
{
97-
return ((FEOrder + 2) > FEOrderElectro ? (FEOrder + 2) : FEOrderElectro);
98-
}
91+
9992

10093
/// 1d quadrature rule order for non-local part of pseudopotential
101-
template <dftfe::uInt FEOrder>
102-
constexpr dftfe::uInt
103-
C_num1DQuadNLPSP()
94+
inline dftfe::uInt
95+
C_num1DQuadNLPSP(dftfe::uInt FEOrder)
10496
{
10597
return 14; // Can be changed from 14 to 18 Step 1
10698
}
10799

108100
/// number of copies 1d quad rule non-local PSP
109-
constexpr dftfe::uInt
101+
inline dftfe::uInt
110102
C_numCopies1DQuadNLPSP()
111103
{
112104
return 1;
113105
}
114106

115107
/// 1d quadrature rule order for local part of pseudopotential
116-
template <dftfe::uInt FEOrder>
117-
constexpr dftfe::uInt
118-
C_num1DQuadLPSP()
108+
inline dftfe::uInt
109+
C_num1DQuadLPSP(dftfe::uInt FEOrder)
119110
{
120111
return 14;
121112
}
@@ -128,18 +119,11 @@ namespace dftfe
128119
}
129120
#else
130121

131-
/// rho nodal polynomial order
132-
template <dftfe::uInt FEOrder, dftfe::uInt FEOrderElectro>
133-
constexpr dftfe::uInt
134-
C_rhoNodalPolyOrder()
135-
{
136-
return ((FEOrder + 2) > FEOrderElectro ? (FEOrder + 2) : FEOrderElectro);
137-
}
122+
138123

139124
/// 1d quadrature rule order for non-local part of pseudopotential
140-
template <dftfe::uInt FEOrder>
141-
constexpr dftfe::uInt
142-
C_num1DQuadNLPSP()
125+
inline dftfe::uInt
126+
C_num1DQuadNLPSP(dftfe::uInt FEOrder)
143127
{
144128
return 10;
145129
}
@@ -152,9 +136,8 @@ namespace dftfe
152136
}
153137

154138
/// 1d quadrature rule order for local part of pseudopotential
155-
template <dftfe::uInt FEOrder>
156-
constexpr dftfe::uInt
157-
C_num1DQuadLPSP()
139+
inline dftfe::uInt
140+
C_num1DQuadLPSP(dftfe::uInt FEOrder)
158141
{
159142
return 10;
160143
}

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