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* New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generationYuri Victorovich2018-10-251-0/+1
* New port: science/maeparser: Parser for Schrodinger Maestro filesYuri Victorovich2018-10-251-0/+1
* New port: science/molsketch: 2D molecule editorYuri Victorovich2018-10-241-0/+1
* New port: science/erkale: Quantum chemistry program to solve the electronic s...Yuri Victorovich2018-10-211-0/+1
* New port: science/py-avogadrolibs: Python bindings for Avogadro2 chemistry li...Yuri Victorovich2018-10-211-0/+1
* New port: science/mmtf: C++ implementation of the MMTF API, decoder and encoderYuri Victorovich2018-10-181-0/+1
* New port: science/avogadro2: Chemical editor and visualization applicationYuri Victorovich2018-10-171-0/+1
* New port: science/avogadrolibs: Avogadro2 libraries for chemical editor and v...Yuri Victorovich2018-10-171-0/+1
* New port: science/libmsym: Molecular point group symmetry libraryYuri Victorovich2018-10-161-0/+1
* New port: science/wxmacmolplt: Graphical user interface principally for the G...Yuri Victorovich2018-10-141-0/+1
* Re-add port: science/gamess-us: General Atomic and Molecular Electronic Struc...Yuri Victorovich2018-10-141-0/+1
* New port: science/simint: Obara-Saika (OS) method of calculating electron rep...Yuri Victorovich2018-10-081-0/+1
* New port: science/molgif: Tool to create GIF animations of moleculesYuri Victorovich2018-10-071-0/+1
* biology/tinker: Update 7.1.3 -> 8.4.4; Move to science/Yuri Victorovich2018-10-071-0/+1
* New port: science/bagel: Brilliantly Advanced General Electronic-structure Li...Yuri Victorovich2018-09-251-0/+1
* New port: science/elk: All-electron full-potential linearised augmented-plane...Yuri Victorovich2018-09-231-0/+1
* New port: science/py-PyFR: Framework for solving advection-diffusion type pro...Yuri Victorovich2018-09-211-0/+1
* New port: science/py-chempy: Package useful useful for solving problems in ch...Yuri Victorovich2018-09-191-0/+1
* New port: science/luscus: Molecular editor and viewerYuri Victorovich2018-09-141-0/+1
* New port: science/py-phono3py: Software to calculate phonon-phonon interactio...Yuri Victorovich2018-09-141-0/+1
* New port: science/py-phonopy: Package for phonon calculations at harmonic and...Yuri Victorovich2018-09-141-0/+1
* New port: science/py-molmod: Collection of molecular modelling tools for pythonYuri Victorovich2018-09-141-0/+1
* New port: science/dftbplus: Package for performing fast atomistic simulationsYuri Victorovich2018-09-121-0/+1
* New port: science/openmx: Nanoscale material simulations using density functi...Yuri Victorovich2018-09-121-0/+1
* New port: science/msms: Program to efficiently compute molecular surfacesYuri Victorovich2018-09-101-0/+1
* New port: science/lm: Software for sampling trajectories of the reaction-diff...Yuri Victorovich2018-09-091-0/+1
* New port: science/namd: Computer software for molecular dynamics simulationYuri Victorovich2018-09-081-0/+1
* New port: science/lammps: Classical molecular dynamics code with a focus on m...Yuri Victorovich2018-09-061-0/+1
* New port: science/mdynamix: General purpose molecular dynamics codeYuri Victorovich2018-09-061-0/+1
* New port: science/cp2k: Quantum chemistry and solid state physics software pa...Yuri Victorovich2018-09-041-0/+1
* New port: science/atom: Program for DFT calculations in atomsYuri Victorovich2018-09-041-0/+1
* New port: science/libgridxc: Library to compute the exchange and correlation ...Yuri Victorovich2018-09-041-0/+1
* Remove science/mpqc-mpich: Enable MPI option in science/mpqc by defaultYuri Victorovich2018-09-041-1/+0
* New port: science/siesta: Program to perform efficient electronic structure c...Yuri Victorovich2018-09-031-0/+1
* New port: science/wannier90: Maximally-localized Wannier functions (MLWFs) an...Yuri Victorovich2018-09-031-0/+1
* New port: science/fleur: FLAPW code for atomic computations in quantum chemis...Yuri Victorovich2018-09-021-0/+1
* New port: science/dalton: Powerful molecular electronic structure program for...Yuri Victorovich2018-09-021-0/+1
* New port: science/teem: Libraries for representing, processing and visualizin...Yuri Victorovich2018-09-021-0/+1
* New port: science/py-gpaw: DFT and beyond within the projector-augmented wav...Yuri Victorovich2018-09-011-0/+1
* New port: science/py-ase: Atomic simulation environmentYuri Victorovich2018-09-011-0/+1
* New port: science/jdftx: Software for joint density functional theory in chem...Yuri Victorovich2018-09-011-0/+1
* New port: science/qbox: First-principles molecular dynamics codeYuri Victorovich2018-08-311-0/+1
* New port: science/libint2: Evaluate the integrals in modern atomic and molecu...Yuri Victorovich2018-08-281-0/+1
* New port: science/madness: Multiresolution adaptive numeric environment for s...Yuri Victorovich2018-08-271-0/+1
* New port: science/datawarrior: Chemistry-aware multi-purpose data visualizati...Yuri Victorovich2018-08-271-0/+1
* New port: science/multiwfn: Multifunctional wavefunction analysis for quantum...Yuri Victorovich2018-08-261-0/+1
* New port: science/gabedit: Graphical user interface for several chemistry sof...Yuri Victorovich2018-08-251-0/+1
* New port: science/octopus: Scientific program aimed at the ab initio virtual ...Yuri Victorovich2018-08-241-0/+1
* New port: science/nwchem: High-performance computational chemistry sotwareYuri Victorovich2018-08-231-0/+1
* New port: science/qwalk: Quantum Monte Carlo package for quantum chemistry co...Yuri Victorovich2018-08-211-0/+1
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