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sanshar
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Block
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
GNU General Public License v3.0
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404: Source code and binary
#59
peggjt
opened
3 years ago
8
raise OSError("no file with expected extension") in runnning DMRG from PySCF
#58
Nellatur
opened
3 years ago
0
error installation using boost 1.71.0
#57
defanet
opened
3 years ago
1
Open shell calculation of Li. Strange RDM1 occupation with half of electron and n_alpha - n_beta=0
#56
dithillobothrium
opened
3 years ago
7
Open-shell calculation with BLOCK. Reading input issues.
#55
dithillobothrium
opened
3 years ago
8
spin-orbital 2-particle density matrices
#53
sunqm
opened
5 years ago
0
boost problem
#51
chburger
opened
6 years ago
0
Add missing include_directories for cmake build
#50
mfherbst
opened
6 years ago
0
Update download url
#49
sunqm
closed
6 years ago
0
Compile Block-1.5.2 on Conda environment
#48
hungpham2017
opened
6 years ago
3
Update block download url
#47
sunqm
closed
6 years ago
0
Update Block download URL in manual
#46
sunqm
closed
7 years ago
0
Symbol lookup error
#45
doblinsky
opened
7 years ago
3
Fix to avoid xml validation failures with Molpro
#44
ajmay81
closed
7 years ago
0
update Block download url
#43
sunqm
closed
7 years ago
0
Update block code download url
#42
sunqm
closed
7 years ago
0
Fix version info
#41
sunqm
closed
7 years ago
0
Missing image
#40
sunqm
closed
7 years ago
0
Fix errors in block-1.5 doc
#39
sunqm
closed
7 years ago
0
Fix errors in block-1.5 doc
#38
sunqm
closed
7 years ago
0
update Block-1.5 download url
#37
sunqm
closed
7 years ago
0
Update docs for block-1.5
#36
sunqm
closed
7 years ago
0
doc pages for block-1.5
#35
sunqm
closed
7 years ago
0
docs for block 1.5 release
#34
sunqm
closed
7 years ago
0
Crash with intel compiler when run in parallel
#33
mneuer71
opened
7 years ago
2
boost/phoenix: boost verson dependence is checked using BOOST_VERSION
#32
qclo
opened
7 years ago
0
boost verson dependence is checked using BOOST_VERSION
#31
qclo
closed
7 years ago
1
dmrg oscillator strengths and orbitals
#30
lucamontana
closed
8 years ago
1
Code Crash
#29
cuanto
closed
8 years ago
5
Update doc for new DMRG-NEVPT2 pyscf interface
#28
sunqm
closed
8 years ago
0
NPDM crash
#27
MThomasRed92
closed
8 years ago
12
Update README
#26
sunqm
closed
8 years ago
0
v1.1 doc
#25
sunqm
closed
8 years ago
0
Add documents and exampels for: DMRG-NEVPT2, DMRG-CASSCF via PySCF
#24
sunqm
closed
8 years ago
0
mpspt2
#23
lucamontana
closed
8 years ago
6
Dynamic correlation
#22
MThomasRed92
closed
8 years ago
1
Compilation Error
#21
NasrHassanein
closed
9 years ago
2
Openmpi-1.8.5 doesn't seem to function well with Block-1.0.1 on my servers.
#20
dingld
closed
9 years ago
6
How to define the active space in dmrg-nevpt2?
#19
dingld
closed
9 years ago
5
BLOCK runtime error
#18
SebWouters
closed
9 years ago
4
npdm_expectations.C
#17
similt
closed
9 years ago
2
Failed by the run-time error, etc...
#16
naokin
closed
9 years ago
1
mpirun meets a segmentation fault
#15
Alpha-Librae
closed
9 years ago
7
Error when compiling with g++ and mpicxx
#14
ghost
closed
9 years ago
7
Shengg
#13
shengg
closed
9 years ago
0
IrrepSpace::operator+=(...) doesn't work correctly
#12
naokin
closed
9 years ago
0
npdm_intermediate fails multi-node run without shared file system
#11
naokin
closed
9 years ago
1
The onepdm and twopdm code is revised to calculate the pdm when bra and
#10
shengg
closed
10 years ago
0
merge pydmrg
#9
sunqm
closed
10 years ago
0
makefile issues: use same compiler options in newmat
#8
hvaggele
closed
9 years ago
0
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