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Search results for atom editor fortran
atom-editor
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fortran
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Chemfiles
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150
Library for reading and writing chemistry files
Conquest Release
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91
Full public release of large scale and linear scaling DFT code CONQUEST
Language Fortran
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31
Syntax highlighting for FORTRAN for atom
Molscat
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21
Ide Fortran
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19
Fortran language support for Atom-IDE
Hfsolver
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16
Hartree Fock solver
Autocomplete Fortran
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16
Playmol
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13
Playmol is a(nother) software for building molecular models
Periodic Nbo
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11
Lev00
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9
L. N. Kantorovich, User-friendly visualisation program for ab initio DFT codes VASP, SIESTA, QE and QUICKSTEP, 1996-2012, unpublished.
Libgmxfort
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8
Modern Fortran toolkit for analyzing GROMACS simulations
Vaspembedding
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7
Embedding module for VASP and tools for its use.
Rmsd Tool
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6
Tool to calculate the root mean square deviation between molecular structures
Scf_szabo
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5
This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A. Szabo and N. Ostlund. I have included a built executable "scf_basic_version_1_0" and an output file called "out" which lists the results. Run the command "make" to build this. Note that this software is not designed to be either efficient in terms of performance or in terms of coding. It is designed as a bit of fun to convert the original Fortran IV code into
Npvol
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5
A simple Monte-Carlo integrator to determine the volume of a nanoparticle
Gb
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5
construction of grain boundaries
Dcdfort
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5
Modern Fortran toolkit for reading in and analyzing DCD simulation trajectories output from LAMMPS
Abo Cross
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5
Interpolate in Anstee-Barklem-O'Mara cross sections for collisional broadening due to hydrogen
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