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susilehtola
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HelFEM
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Gaussian nucleus: split the quadrature at the nuclear scale
CI
#162:
Commit
728e8d1
pushed by
susilehtola
14m 2s
master
master
14m 2s
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Fix stale install dirs of fetched dependencies; split the Gaussian-nucleus quadrature at the nuclear scale
CI
#161:
Pull request
#357
opened by
susilehtola
9m 7s
fetch-cache-and-nucleus-quadrature
fetch-cache-and-nucleus-quadrature
9m 7s
View #357
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Weekly full test suite
Weekly full test suite
#9:
Scheduled
1h 8m 37s
master
master
1h 8m 37s
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Find an installed Eigen 3.4 as well as Eigen 5
CI
#160:
Commit
ec8fe3f
pushed by
susilehtola
14m 57s
master
master
14m 57s
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Find an installed Eigen 3.4 as well as Eigen 5
CI
#159:
Pull request
#356
opened by
susilehtola
14m 21s
eigen3-version-range
eigen3-version-range
14m 21s
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Remove COPYING: the GPLv2 text left behind by the BSD relicense
CI
#158:
Commit
16fa83a
pushed by
susilehtola
14m 42s
master
master
14m 42s
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Remove COPYING (GPLv2 text left over from the BSD relicense)
CI
#157:
Pull request
#355
opened by
susilehtola
2m 22s
drop-gpl-copying
drop-gpl-copying
2m 22s
View #355
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C++ CAS integral engine with atomic and diatomic adapters
CI
#156:
Pull request
#352
synchronize by
susilehtola
15m 59s
cas-cpp-engine
cas-cpp-engine
15m 59s
View #352
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cmake: install fetched dependencies with HelFEM, into a private subtree
CI
#155:
Commit
da6b491
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susilehtola
14m 20s
master
master
14m 20s
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CMake: fetch libxc when absent, and install fetched dependencies so an installed HelFEM is consumable
CI
#154:
Pull request
#354
opened by
susilehtola
11m 42s
consumable-libraries
consumable-libraries
11m 42s
View #354
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Python bindings revived, with a PySCF-driven CASSCF for the atomic basis
CI
#153:
Pull request
#353
opened by
susilehtola
14m 0s
python-casscf
python-casscf
14m 0s
View #353
View workflow file
C++ CAS integral engine with atomic and diatomic adapters
CI
#152:
Pull request
#352
opened by
susilehtola
12m 0s
cas-cpp-engine
cas-cpp-engine
12m 0s
View #352
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Weekly full test suite
Weekly full test suite
#8:
Scheduled
1h 36m 42s
master
master
1h 36m 42s
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Build the libxc-free half of the DFT grid worker into helfem-fem
CI
#151:
Pull request
#351
opened by
susilehtola
13m 51s
diatomic-grid-core
diatomic-grid-core
13m 51s
View #351
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CASSCF groundwork: revive the Python bindings, add the shared C++ CAS engine and both geometry adapters
CI
#150:
Pull request
#344
synchronize by
susilehtola
14m 24s
revive-python-bindings
revive-python-bindings
14m 24s
View #344
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One adaptive-quadrature loop, shared by every integral that refines i…
CI
#149:
Commit
e22c6f4
pushed by
susilehtola
14m 12s
master
master
14m 12s
View workflow file
CASSCF groundwork: revive the Python bindings, add the shared C++ CAS engine and both geometry adapters
CI
#148:
Pull request
#344
synchronize by
susilehtola
11m 49s
revive-python-bindings
revive-python-bindings
11m 49s
View #344
View workflow file
One adaptive-quadrature loop for every integral that refines its order
CI
#147:
Pull request
#350
opened by
susilehtola
11m 10s
unify-adaptive-quadrature
unify-adaptive-quadrature
11m 10s
View #350
View workflow file
converge_block: test what the cap warning reports, and name the integral
CI
#146:
Commit
a0bbbff
pushed by
susilehtola
13m 13s
master
master
13m 13s
View workflow file
Quadrature cap warning: report the real change, name the integral, and test both
CI
#145:
Pull request
#349
opened by
susilehtola
10m 56s
quadrature-cap-warning
quadrature-cap-warning
10m 56s
View #349
View workflow file
CASSCF groundwork: revive the Python bindings, add the shared C++ CAS engine and both geometry adapters
CI
#144:
Pull request
#344
synchronize by
susilehtola
14m 21s
revive-python-bindings
revive-python-bindings
14m 21s
View #344
View workflow file
Fix: legendre was listed twice in the export set
CI
#143:
Commit
a2f57f6
pushed by
susilehtola
10m 53s
master
master
10m 53s
View workflow file
Make HelFEM consumable: split the library, install the diatomic headers, namespace the include root
CI
#142:
Pull request
#348
synchronize by
susilehtola
11m 55s
consumable-libraries
consumable-libraries
11m 55s
View #348
View workflow file
Make HelFEM consumable: split the library, install the diatomic headers, namespace the include root
CI
#141:
Pull request
#348
opened by
susilehtola
37s
consumable-libraries
consumable-libraries
37s
View #348
View workflow file
Weekly full test suite
Weekly full test suite
#7:
Scheduled
1h 19m 0s
master
master
1h 19m 0s
View workflow file
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