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dgasmith
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gau2grid
Fast computation of a gaussian and its derivative on a grid.
https://gau2grid.readthedocs.io/en/latest/
BSD 3-Clause "New" or "Revised" License
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Docs and Orbital evaluation
#20
dgasmith
closed
6 years ago
2
Update Build Cartesian Orders
#19
dgasmith
closed
5 years ago
10
Molden Order
#18
dgasmith
closed
6 years ago
3
Update CMakeLists.txt
#17
loriab
closed
6 years ago
3
Tagged version doesn't match CMake project version
#16
raimis
closed
6 years ago
1
Windows-ported version
#15
raimis
closed
6 years ago
2
Install gau2grid_pragma.h
#14
raimis
closed
6 years ago
1
Porting to Windows
#13
raimis
closed
6 years ago
6
Calculating cubes for visualization using the C interface
#12
cryos
opened
6 years ago
6
CMake: fix syntax errors
#11
loriab
closed
6 years ago
2
Update gau2gridConfig.cmake.in
#10
loriab
closed
6 years ago
4
Allow for CCA ordering of solid harmonic Gaussians
#9
wavefunction91
closed
6 years ago
4
bump version in cmake
#8
loriab
closed
6 years ago
1
catch the `data/*.npz` in install
#7
loriab
closed
6 years ago
2
Remove mpmath
#6
dgasmith
closed
6 years ago
1
install as python module from CMake
#5
loriab
closed
6 years ago
2
CMAKE: enable fpic for static lib, enable generic build
#4
loriab
closed
6 years ago
1
Install library and export target
#3
loriab
closed
6 years ago
1
CMake: build lib as CXX, for pybind11's sake
#2
loriab
closed
7 years ago
1
Add skeleton CMake generation, lib, pybound lib
#1
loriab
closed
7 years ago
1
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