Re: [問題] 計算物理和量子電腦/量子計算
※ 引述《pipidog (如果狗狗飛上天)》之銘言：
: 趁你才大二,還有救,給你一些不負責任的,一些過來人的建議. 聽聽就好.
: 我的建議值不值得聽,答案你應該自己花時間去尋找.切莫輕信! 盲信的人
: 番大事,只有你有好的創意,全世界都會一起來幫你.人與人的協作如此緊密,人與人
: 的關係又如此疏遠,要在這個時代自處,不容易,過去成功的model不適用,新的model
: 又未成形.但我想喜歡寫程式是個還不錯的立足點,不過要記住,這種潮出水的熱情千
: 萬別從那些win 7再戰十年的人身上找答案,你會溺水的!
以下所列是科學界或市面上常見的第一原理和固態計算的軟體
ABINIT Free, GPL Fortran
ACES Free, GPL Fortran,?C++
AMPAC Academic Unknown
ADF Commercial Fortran
Atomistix ToolKit(ATK) Commercial C++,?Python
BigDFT Free, GPL Fortran
CADPAC Academic Fortran
CASINO?(QMC) Academic Fortran 95
CASTEP Academic (UK), commercial Fortran 95,?Fortran 2003
CFOUR Academic Fortran
COLUMBUS Academic Fortran
CONQUEST Academic Fortran 90
CP2K Free, GPL Fortran 95
CPMD Academic Fortran
Crystal Academic (UK), commercial Fortran
DACAPO Free,?GPL?1 Fortran
Dalton Academic Fortran
deMon2k Academic, commercial Fortran
DFTB+ Academic, commercial Fortran 95
DFT++ Free,?GPL C++
DIRAC Academic Fortran 77,?Fortran 90,?C
DMol3 Commercial Fortran 90
ELK Free,?GPL Fortran 95
Empire Academic, commercial Fortran
EPW6 Free,?GPL Fortran
ErgoSCF Free,?GPL C++
ERKALE Free,?GPL C++
EXCITING Free,?GPL Fortran 95
FLEUR Academic Fortran 95
FHI-aims Commercial Fortran
FPLO13 Commercial Fortran 95,?C++,?Perl
FreeON Free,?GPL Fortran 95
Firefly,?PC GAMESS Academic Fortran,?C,?Assembly
GAMESS (UK) Academic (UK), commercial Fortran
GAMESS (US) Academic Fortran
Gaussian Commercial Fortran
GPAW Free,?GPL Python,?C
HiLAPW Unknown Unknown
HORTON Free,?GPL Python,?C++
Jaguar Commercial Fortran,?C
JDFTx Free,?GPL C++,?CUDA
LOWDIN Academic Fortran 95, 03
MADNESS Free,?GPL C++
MISSTEP Free,?GPL C++
MOLCAS Academic, commercial[1] Fortran,?C,?C++,?Python,?Perl
MolDS Free,?GPL C++
MOLPRO Commercial Fortran
MONSTERGAUSS Free Fortran
MOPAC Academic, commercial Fortran
MPQC Free,?LGPL C++
NRLMOL Unknown Fortran
NTChem Unknown Unknown
NWChem Free,?ECL?v2 Fortran 77,?C
Octopus Free,?GPL Fortran 95,?C,?OpenCL
ONETEP Academic (UK), commercial Fortran
OpenAtom Academic Charm++?(C++)
OpenMX Free,?GPL C
ORCA Academic C++
PLATO Academic Unknown
PQS Commercial Unknown
Priroda-06 Academic C
PSI Free,?GPL C,?C++,?Python
PUPIL Free,?GPL Fortran,?C
PWmat Commercial Fortran
PWscf6 Free,?GPL Fortran
PyQuante Free,?BSD Python
PySCF Free,?BSD Python
Q-Chem Commercial Fortran,?C++
QMCPACK (QMC)Free,?U. Illinois Open Source C++,?CUDA
Quantemol-N Academic, commercial Fortran
QSite Unknown Unknown
Quantum ESPRESSO Free,?GPL Fortran
RMG Free,?GPL C,?C++
RSPt Academic Fortran,?C
Scigress Commercial C++,?C,?Java,?Fortran
Spartan Commercial Fortran, ?C,?C++
Siam Quantum Free,?GPL C
SIESTA Free,?GPL Fortran
TB-LMTO Academic Fortran
TeraChem?8 Commercial C,?CUDA
TURBOMOLE Commercial Fortran
VASP Academic (AT), commercial Fortran
WIEN2k Commercial Fortran,C
Yambo Code Some parts GPL Fortran
總計 FORTRAN ( 77,90, 95,2003) 55
Python 7
C,C++ 34
我覺得我自己有碰過不少ab initio軟體
還是Fortran居多說 @@
原始資料出處在這
https://tinyurl.com/y7qa4nn2
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※ 文章網址: https://www.ptt.cc/bbs/Physics/M.1502276667.A.62A.html
※ 編輯: peter308 (182.235.147.55), 08/09/2017 19:07:50
※ 編輯: peter308 (182.235.147.55), 08/09/2017 19:08:49
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