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theochem
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horton
HORTON: Helpful Open-source Research TOol for N-fermion systems
http://theochem.github.io/horton/
GNU General Public License v3.0
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Load Molden files with ghost atoms
#204
tovrstra
closed
7 years ago
1
Fix normalization issue with Molden files from latest PSI4.
#203
tovrstra
closed
7 years ago
1
Figure out ordering conventions of basis functions in other codes
#202
tovrstra
opened
7 years ago
5
Fix missing things related to windows install doc
#201
tovrstra
closed
7 years ago
6
Improved pre-commit script
#200
tovrstra
closed
7 years ago
3
Load dipole and quadrupole moment from g09 FCHK
#199
tovrstra
closed
7 years ago
1
osx non-gnu paste fix
#198
matt-chan
closed
7 years ago
3
Clean logging code
#197
tovrstra
closed
7 years ago
1
Fix version dependencies
#196
tovrstra
closed
7 years ago
2
Fix silly wget-curl issue
#195
tovrstra
closed
7 years ago
2
Install documentation needs some TLC
#194
tovrstra
closed
7 years ago
3
tools/qa/install_libint-2.0.3.sh uses wget
#193
tovrstra
closed
7 years ago
0
update installation documentation for MAC
#192
tczorro
closed
7 years ago
4
libxc version problem
#191
tczorro
closed
7 years ago
5
Mac install instructions need py27-readline
#190
matt-chan
closed
7 years ago
5
Switch to openblas
#189
matt-chan
closed
7 years ago
8
David windows install branch
#188
tovrstra
closed
8 years ago
2
Get rid of some cruft
#187
tovrstra
closed
8 years ago
0
Fix silly sphinx doc compile issue
#186
tovrstra
closed
8 years ago
0
Some more comments for fns.cpp and fns.h
#185
tovrstra
closed
8 years ago
1
Update MANIFEST.in
#184
tovrstra
closed
8 years ago
1
Fix typo in install docs
#183
tovrstra
closed
8 years ago
3
Some users get Cython error when Cythoning horton/gbasis/cext.pyx ('vector[float64_t] *' to 'vector[double] *)
#182
tovrstra
closed
7 years ago
4
Files missing in release tar file
#181
tovrstra
closed
8 years ago
0
Build on ppc64 and ppc64LE
#180
matt-chan
opened
8 years ago
0
added --clean option to simulate_trapdoor_pr
#179
matt-chan
closed
8 years ago
1
Document mononomial tricks in fns.h
#178
tovrstra
closed
8 years ago
2
added doc test
#177
matt-chan
closed
8 years ago
6
Upgrade to typed memory views
#176
matt-chan
opened
8 years ago
1
Fix a few sphinx problems
#175
tovrstra
closed
8 years ago
1
Dot product of Effective Hamiltonian Hessian with a change in density matrix
#174
tovrstra
closed
8 years ago
9
Docu fixes
#173
tovrstra
closed
8 years ago
1
Code analysis with common builds.
#172
matt-chan
closed
8 years ago
8
Clarify assumptions made by check_delta
#171
tovrstra
closed
8 years ago
1
moved source merge first
#170
matt-chan
closed
8 years ago
1
Buildkite starts scripts that are at head of PR
#169
tovrstra
closed
8 years ago
0
common prints self DO NOT MERGE!
#168
tovrstra
closed
8 years ago
1
Nproc option trapdoor coverage
#167
tovrstra
closed
8 years ago
0
Run nosetests in serial on Travis, in parallel on buildkite
#166
tovrstra
closed
8 years ago
3
Pylint requires compiled extensions, i.e. is not static, as assumed on buildkit
#165
tovrstra
closed
8 years ago
1
Documentation build missing on buildkite
#164
tovrstra
closed
8 years ago
0
Minor: remove quotes from ANCESTOR_SHA early
#163
tovrstra
closed
8 years ago
2
Fix ancestor issues in check_whitespace.py
#162
tovrstra
closed
8 years ago
3
tools/qa/check_whitespace.py runs on too many commits in buildkite.
#161
tovrstra
closed
8 years ago
0
MGGA and Hybrid MGGA functionals
#160
tovrstra
closed
8 years ago
10
pre-commit should check for missing end of line at last line of file.
#159
tovrstra
closed
7 years ago
0
Order of results in arrays in fns.cpp is not clear.
#158
tovrstra
closed
8 years ago
0
Document usage of polynomials in fns.cpp
#157
tovrstra
closed
8 years ago
1
Buildkite QA
#156
matt-chan
closed
8 years ago
5
DON'T MERGE. Buildkite qa
#155
matt-chan
closed
8 years ago
0
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