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NECI_STABLE
Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
GNU General Public License v3.0
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How to define a periodic hubbard lattice using FCIDUMP?
#17
simonganne01
opened
1 week ago
1
fciqmc_stats file not outputting after running kmneci with realtime block
#16
AndrewReynoso
opened
1 month ago
8
Confusion on <popsfile>.0 in Realtime
#15
AndrewReynoso
closed
1 month ago
4
Test input does not work
#14
fstein93
opened
1 year ago
1
Running NECI failes
#13
fstein93
opened
1 year ago
13
Broken link to FCIDUMP file in the user manual
#12
fstein93
opened
1 year ago
4
CMake failure if the hostname is too long
#11
branfosj
opened
1 year ago
1
add `from __future__ import print_function` for python 2–3 compatibility
#10
e-kwsm
closed
2 years ago
1
fix shebang
#9
e-kwsm
closed
2 years ago
9
Intel oneAPI does not work with `.arrlt.` and `.arrgt.`
#8
e-kwsm
closed
2 years ago
5
Define `INTELLLVM_` if FC is IntelLLVM (oneAPI)
#7
e-kwsm
closed
2 years ago
3
Build error with gfortran-10
#6
mbanck
closed
3 years ago
2
Allow usage of external fypp program
#5
mbanck
closed
3 years ago
2
Cant built with gcc 10
#4
Standazwicky
closed
4 years ago
2
Manual merge
#3
kguther
closed
5 years ago
0
Unclear/no license
#2
mbanck
closed
4 years ago
1
compilation problem
#1
scemama
closed
9 years ago
3