Definition of MOLPRO. Meaning of MOLPRO. Synonyms of MOLPRO

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Definition of MOLPRO

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Meaning of MOLPRO from wikipedia

- MOLPRO is a software package used for accurate ab initio quantum chemistry calculations. It is developed by Peter Knowles at Cardiff University and Hans-Joachim...
- directly integrated into many quantum chemistry packages such as MOLCAS, Molpro, DALTON, PySCF and ORCA. The research performed into the development of...
- CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem...
- CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem...
- CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem...
- is incorporated into many quantum chemistry packages, including NWChem, MOLPRO, UTChem, MOLCAS, and TURBOMOLE. The GA library is also incorporated into...
- Gabedit is a graphical user interface to GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, ORCA and Q-Chem com****tional chemistry packages...
- C****CF AIMS Gpawa RT-TDKS MFE ChemS****a MRCI/OMx FSSH Molcas SA-C****CF FSSH Molpro C****CF, MS-CASPT2 AIMS Mopaca FOMO-CI FSSH and AIMS (IC and ISC) Octopus...
- commercial / LGPL Fortran, C, C++, Python, Perl Yes Yes Yes Yes, HDF5 Un­known MOLPRO Commercial Fortran Yes Yes Yes Un­known Un­known MOPAC Free, LGPL Fortran...
- J.H. van Lenthe. GAMESS (US), has links to interface VB2000, and XMVB. MOLPRO and MOLCAS include code by David L. Cooper for generating Spin Coupled VB...