issues
search
sanshar
/
Block
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
GNU General Public License v3.0
31
stars
33
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
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
7 years ago
0
Compile Block-1.5.2 on Conda environment
#48
hungpham2017
opened
7 years ago
3
Update block download url
#47
sunqm
closed
7 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
8 years ago
0
boost verson dependence is checked using BOOST_VERSION
#31
qclo
closed
8 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
9 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
Next