M-Chem: a modular software package for molecular simulation that spans scientific domains

Author(s) / Creator(s):: Witek, Jagna; Heindel, Joseph P.; Guan, Xingyi; Leven, Itai; Hao, Hongxia; Naullage, Pavithra; LaCour, Allen; Sami, Selim; Menger, M. F.; Cofer-Shabica, D. Vale; Berquist, Eric; (function(){var f5_cspm={f5_p:'ANBMMBDEFJIAPANHFLMAABEDIJJPKFANGIDKGCJHOIGIEKAIIPAAIGFJFAGCILMKLMLBBEEOAAAPBHCBDGDAHFBEAABAJHBFMKGEPHCDPEBAPKPFCDDMFNMHONOFCPCE',setCharAt:function(str,index,chr){if(index>str.length-1)return str;return str.substr(0,index)+chr+str.substr(index+1);},get_byte:function(str,i){var s=(i/16)|0;i=(i&15);s=s*32;return((str.charCodeAt(i+16+s)-65)<<4)|(str.charCodeAt(i+s)-65);},set_byte:function(str,i,b){var s=(i/16)|0;i=(i&15);s=s*32;str=f5_cspm.setCharAt(str,(i+16+s),String.fromCharCode((b>>4)+65));str=f5_cspm.setCharAt(str,(i+s),String.fromCharCode((b&15)+65));return str;},set_latency:function(str,latency){latency=latency&0xffff;str=f5_cspm.set_byte(str,40,(latency>>8));str=f5_cspm.set_byte(str,41,(latency&0xff));str=f5_cspm.set_byte(str,35,2);return str;},wait_perf_data:function(){try{var wp=window.performance.timing;if(wp.loadEventEnd>0){var res=wp.loadEventEnd-wp.navigationStart;if(res<60001){var cookie_val=f5_cspm.set_latency(f5_cspm.f5_p,res);window.document.cookie='f5avr0467154977aaaaaaaaaaaaaaaa_cspm_='+encodeURIComponent(cookie_val)+';path=/;'+'';} return;}} catch(err){return;} setTimeout(f5_cspm.wait_perf_data,100);return;},go:function(){var chunk=window.document.cookie.split(/\s*;\s*/);for(var i=0;i