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Searched refs:dmol (Results 1 – 25 of 157) sorted by relevance

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/dports/print/p5-Font-FreeType/Font-FreeType-0.07/
H A DChanges1 0.07 2015-09-27 dmol@cpan.org
4 0.07_2 2015-09-24 dmol@cpan.org
7 0.07_1 2015-09-24 dmol@cpan.org
10 0.06 2015-01-27 dmol@cpan.org
13 0.06_1 2015-01-27 dmol@cpan.org
16 0.05 2015-01-27 dmol@cpan.org
19 0.05_2 2015-01-23 dmol@cpan.org
25 0.05_1 2015-01-21 dmol@cpan.org
29 0.04 2014-12-24 dmol@cpan.org
32 0.04_03 2014-12-22 dmol@cpan.org
[all …]
/dports/science/py-ase/ase-3.22.0/ase/test/calculator/dmol/
H A Dtest_Al_dmol.py3 from ase.calculators.dmol import DMol3
H A Dtest_water_dmol.py3 from ase.calculators.dmol import DMol3
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/3dmol/js/
H A D3dmol.js.in221 … document.getElementById("colorbar").innerHTML ="<img src=3dmol/images/rwb.png width='250'>";
223 … document.getElementById("colorbar").innerHTML ="<img src=3dmol/images/rgb.png width='250'>";
347 //url = "../3dmol/files/1fas.pqr";
367 //xhr.open("GET", "../3dmol/files/1fas.cube");
/dports/science/chemical-mime-data/chemical-mime-data-0.1.94/
H A DNEWS26 - chemical/x-dmol
70 chemical/x-mdl-tgf, chemical/x-daylight-smiles, chemical/x-dmol,
/dports/science/py-ase/ase-3.22.0/ase/test/fio/
H A Dtest_dmol.py4 from ase.calculators.dmol import find_transformation
/dports/science/tinker/tinker/source/
H A Dxtalfit.f613 real*8 dmol,big local
787 dmol = dble(nmol)
788 e_lattice = (e0 - dmol*e_monomer) / dmol
/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/ada/libgnat/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gcc6-aux/gcc-6-20180516/gcc/ada/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gcc9/gcc-9.4.0/gcc/ada/libgnat/
H A Ds-dgmgop.ads138 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/ada/libgnat/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gnat_util/gcc-6-20180516/gcc/ada/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/devel/avr-gcc/gcc-10.2.0/gcc/ada/libgnat/
H A Ds-dgmgop.ads138 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/ada/libgnat/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gcc11-devel/gcc-11-20211009/gcc/ada/libgnat/
H A Ds-dgmgop.ads138 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gcc48/gcc-4.8.5/gcc/ada/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gcc10-devel/gcc-10-20211008/gcc/ada/libgnat/
H A Ds-dgmgop.ads138 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/ada/libgnat/
H A Ds-dgmgop.ads138 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/devel/mingw32-gcc/gcc-4.8.1/gcc/ada/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/ada/libgnat/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/devel/arm-none-eabi-gcc492/gcc-4.9.2/gcc/ada/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/ada/libgnat/
H A Ds-dmotpr.ads136 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gcc9-aux/bootstrap/lib/gcc/x86_64-aux-dragonfly5.5/9.1.0/adainclude/
H A Ds-dgmgop.ads138 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/ada/libgnat/
H A Ds-dgmgop.ads138 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant
/dports/lang/gcc10/gcc-10.3.0/gcc/ada/libgnat/
H A Ds-dgmgop.ads138 dmol : constant Amount_Of_Substance := 1.0E-01; -- deci constant

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