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evaleev
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libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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testsuite fails to build on 32bit
#194
mbanck
opened
3 years ago
5
Sort input file list
#193
bmwiedemann
closed
3 years ago
1
LIBINT2_MAX_AM_default1 and LIBINT2_MAX_AM_default2 not defined
#192
susilehtola
closed
2 years ago
6
default MAX_AM influences task MAX_AM
#191
loriab
closed
3 years ago
2
Portable libint
#190
susilehtola
opened
3 years ago
27
Composite shells support.
#189
JensWehner
closed
3 years ago
3
Failed check
#188
mboisson
closed
2 years ago
6
C++ test doesn't build in libint 2.6.0
#187
susilehtola
closed
2 years ago
1
Fix include file location in fortran_example
#186
susilehtola
closed
3 years ago
3
Fix INCLUDE_ERI >= 2 case in Fortran example
#185
susilehtola
closed
3 years ago
1
CMake build documented, but completely broken
#184
mboisson
closed
2 years ago
1
Build fails with GCC 10
#183
fxcoudert
closed
2 years ago
1
Question regarding libint static init / cleanup
#182
pseewald
closed
2 years ago
1
Remove default args from function implementation
#181
shivupa
closed
3 years ago
0
Bump minimum required Boost version to 1.57 (`BOOST_PP_VARIADICS`)
#180
e-kwsm
closed
2 years ago
0
Problem running configure
#179
sriparnaghosh
closed
2 years ago
1
Intel 19.1.1.217 issues
#178
ambmax00
closed
3 years ago
1
Unable to find libint2/libint2_params.h
#177
sharm608
closed
3 years ago
0
How to properly destroy a libint2::Engine object
#176
javierelpianista
closed
4 years ago
5
add_library cannot create ALIAS target X because target Y is IMPORTED
#175
mdav2
closed
4 years ago
3
Unable to build tests using tests/makefile
#174
pmott91
closed
2 years ago
1
`make install` failed
#173
CHN-beta
closed
2 years ago
5
Unable to find Eigen
#172
pmott91
opened
4 years ago
3
Avoid C Preprocessor macros
#171
e-kwsm
closed
2 years ago
0
cmake fail
#170
nadnatalia
closed
2 years ago
2
Change Eigen download link
#169
e-kwsm
closed
4 years ago
0
Fix warning "anonymous non-C-compatible type given name for linkage purposes by typedef declaration"
#168
e-kwsm
closed
2 years ago
1
Add override keyword
#167
e-kwsm
closed
3 years ago
0
Remove `using namespace std;` in headers
#166
e-kwsm
closed
4 years ago
0
Libint2::molden::Export cartesian D functions
#165
cmasteran1
closed
2 years ago
2
'init()' is missed after basis.h.in#197
#164
swillow
closed
4 years ago
0
problems about BasisSet object
#163
lqhenwunai
closed
4 years ago
3
make Engine civil wrt disabled 1- or 2-body ints
#162
evaleev
opened
4 years ago
0
check version of the Boost.PP detected at library configure time with the version found at user code compile time
#161
evaleev
closed
4 years ago
9
hartree-fock++ and gcc7
#160
loriab
closed
2 years ago
0
option name
#159
loriab
closed
4 years ago
1
Incorrect installation path saved in install/lib/cmake/libint2/libint2-targets.cmake on Summit
#158
victor-anisimov
closed
4 years ago
6
Header files located in wrong folder?
#157
javierelpianista
closed
4 years ago
5
Azure DevOps
#156
loriab
opened
4 years ago
0
examples to call libint
#155
lqhenwunai
closed
4 years ago
2
BasisSet's `max_l` and `max_nprims`
#154
javierelpianista
closed
4 years ago
1
Generalized erfc integrals
#153
andysim
opened
4 years ago
2
c++ interface questions
#152
loriab
closed
4 years ago
2
Clarify angular momentum constraints
#151
andysim
closed
4 years ago
3
Failing to build eritest
#150
mclement1
closed
4 years ago
3
LIBINT2_MAX_AM_default2 definition
#149
loriab
closed
4 years ago
1
all-stage CMake
#148
loriab
closed
3 years ago
13
Libint2 cmake
#147
loriab
opened
4 years ago
2
autoreconf not working
#146
mbanck
closed
2 years ago
1
--enable-fortran not propageted from libint-compiler configure to exported library
#145
mbanck
opened
4 years ago
1
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